CID 40429402

319470-14-9

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C13H15NO4/c15-12(16)6-11-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKey
LSAPQRPYEJIJAG-UHFFFAOYSA-N
Compound name
2-(1-phenylmethoxycarbonylazetidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

249.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 157.0
[M+Na]+ 272.08933 162.7
[M+NH4]+ 267.13393 158.8
[M+K]+ 288.06327 160.3
[M-H]- 248.09283 154.7
[M+Na-2H]- 270.07478 159.0
[M]+ 249.09956 155.6
[M]- 249.10066 155.6
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