CID 155894020

(1s,3s)-1-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-(hydroxymethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO
InChI
InChI=1S/C21H21NO5/c23-11-13-9-21(10-13,19(24)25)22-20(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,23H,9-12H2,(H,22,26)(H,24,25)
InChIKey
GCAPAFYSGBCRAF-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 187.0
[M+Na]+ 390.13119 190.5
[M-H]- 366.13469 192.2
[M+NH4]+ 385.17579 196.3
[M+K]+ 406.10513 189.8
[M+H-H2O]+ 350.13923 175.0
[M+HCOO]- 412.14017 202.8
[M+CH3COO]- 426.15582 215.8
[M+Na-2H]- 388.11664 188.2
[M]+ 367.14142 196.3
[M]- 367.14252 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.