CID 155971171

2-[3-(benzyloxy)azetidin-1-yl]acetic acid

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1C(CN1CC(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO3/c14-12(15)8-13-6-11(7-13)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey
DFCOQYJEUBAKNN-UHFFFAOYSA-N
Compound name
2-(3-phenylmethoxyazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 146.5
[M+Na]+ 244.094418 151.2
[M-H]- 220.097924 149.9
[M+NH4]+ 239.139023 156.0
[M+K]+ 260.068358 152.2
[M+H-H2O]+ 204.102460 133.7
[M+HCOO]- 266.103401 165.3
[M+CH3COO]- 280.119051 189.0
[M+Na-2H]- 242.079866 150.4
[M]+ 221.10465142 155.1
[M]- 221.10574858 155.1
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.