CID 3589012

84677-06-5

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1CC1(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO4/c14-10(15)12(6-7-12)13-11(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)
InChIKey
KHINKCGJKZSHAJ-UHFFFAOYSA-N
Compound name
1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

235.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 155.2
[M+Na]+ 258.07368 166.3
[M+NH4]+ 253.11828 163.5
[M+K]+ 274.04762 161.4
[M-H]- 234.07718 163.8
[M+Na-2H]- 256.05913 164.5
[M]+ 235.08391 160.2
[M]- 235.08501 160.2
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

patents stripe