CID 10988214

1-[(benzyloxy)carbonyl]azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H13NO4/c14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKey
PVJPBKZGIUAESY-UHFFFAOYSA-N
Compound name
1-phenylmethoxycarbonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

235.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 149.8
[M+Na]+ 258.07368 154.3
[M-H]- 234.07718 153.3
[M+NH4]+ 253.11828 158.6
[M+K]+ 274.04762 156.0
[M+H-H2O]+ 218.08172 136.9
[M+HCOO]- 280.08266 168.0
[M+CH3COO]- 294.09831 189.8
[M+Na-2H]- 256.05913 152.4
[M]+ 235.08391 158.3
[M]- 235.08501 158.3
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

patents stripe