CID 5223225

1-(((9h-fluoren-9-yl)methoxy)carbonyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c22-19(23)13-9-10-21(11-13)20(24)25-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,22,23)
InChIKey
GUAMYYOQAAUXLR-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

337.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.5
[M+Na]+ 360.12062 185.6
[M-H]- 336.12412 185.4
[M+NH4]+ 355.16522 196.2
[M+K]+ 376.09456 181.3
[M+H-H2O]+ 320.12866 172.5
[M+HCOO]- 382.12960 196.3
[M+CH3COO]- 396.14525 189.6
[M+Na-2H]- 358.10607 178.1
[M]+ 337.13085 179.7
[M]- 337.13195 179.7
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

patents stripe