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

386
Patents

235.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 149.8
[M+Na]+ 258.073678 154.3
[M-H]- 234.077184 153.3
[M+NH4]+ 253.118283 158.6
[M+K]+ 274.047618 156.0
[M+H-H2O]+ 218.081720 136.9
[M+HCOO]- 280.082661 168.0
[M+CH3COO]- 294.098311 189.8
[M+Na-2H]- 256.059126 152.4
[M]+ 235.08391142 158.3
[M]- 235.08500858 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