CID 53397566

1265896-32-9

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC1(CNC(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO4/c15-11(16)13(6-7-13)9-14-12(17)18-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)(H,15,16)
InChIKey
VQLSXXIJPPXXIN-UHFFFAOYSA-N
Compound name
1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 153.7
[M+Na]+ 272.08933 160.8
[M-H]- 248.09283 159.8
[M+NH4]+ 267.13393 166.7
[M+K]+ 288.06327 158.5
[M+H-H2O]+ 232.09737 147.9
[M+HCOO]- 294.09831 176.0
[M+CH3COO]- 308.11396 193.5
[M+Na-2H]- 270.07478 159.1
[M]+ 249.09956 157.2
[M]- 249.10066 157.2
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.