CID 137942167

2287312-07-4

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1CN(CC1(CC(=O)O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c23-19(24)11-21(26)9-10-22(13-21)20(25)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18,26H,9-13H2,(H,23,24)
InChIKey
LXKBSQXRPGMVKS-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypyrrolidin-3-yl]acetic 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 187.1
[M+Na]+ 390.13119 193.2
[M-H]- 366.13469 191.9
[M+NH4]+ 385.17579 203.9
[M+K]+ 406.10513 188.7
[M+H-H2O]+ 350.13923 180.6
[M+HCOO]- 412.14017 202.2
[M+CH3COO]- 426.15582 209.3
[M+Na-2H]- 388.11664 186.4
[M]+ 367.14142 187.7
[M]- 367.14252 187.7
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.