CID 40429402

1-cbz-3-azetidineacetic acid

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 154.5
[M+Na]+ 272.08933 158.5
[M-H]- 248.09283 157.8
[M+NH4]+ 267.13393 162.7
[M+K]+ 288.06327 160.0
[M+H-H2O]+ 232.09737 141.4
[M+HCOO]- 294.09831 172.3
[M+CH3COO]- 308.11396 192.7
[M+Na-2H]- 270.07478 156.5
[M]+ 249.09956 163.3
[M]- 249.10066 163.3
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