CID 3589012

1-{[(benzyloxy)carbonyl]amino}cyclopropane-1-carboxylic acid

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

255
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 149.6
[M+Na]+ 258.07368 157.1
[M-H]- 234.07718 155.8
[M+NH4]+ 253.11828 163.1
[M+K]+ 274.04762 155.0
[M+H-H2O]+ 218.08172 143.9
[M+HCOO]- 280.08266 172.2
[M+CH3COO]- 294.09831 190.7
[M+Na-2H]- 256.05913 155.4
[M]+ 235.08391 152.7
[M]- 235.08501 152.7
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