CID 106822757

1696791-50-0

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1CC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c1-26-13-10-21(11-13,19(23)24)22-20(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKey
NKMHJLJKJKLOAJ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.2
[M+Na]+ 390.13119 190.2
[M-H]- 366.13469 192.7
[M+NH4]+ 385.17579 196.2
[M+K]+ 406.10513 190.1
[M+H-H2O]+ 350.13923 173.9
[M+HCOO]- 412.14017 203.5
[M+CH3COO]- 426.15582 217.9
[M+Na-2H]- 388.11664 187.8
[M]+ 367.14142 197.1
[M]- 367.14252 197.1
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.