CID 43091934

2-[(1-phenylcyclopropyl)formamido]acetic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1CC1(C2=CC=CC=C2)C(=O)NCC(=O)O
InChI
InChI=1S/C12H13NO3/c14-10(15)8-13-11(16)12(6-7-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)
InChIKey
KTNXRHJFNXTODM-UHFFFAOYSA-N
Compound name
2-[(1-phenylcyclopropanecarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 145.9
[M+Na]+ 242.07876 153.5
[M-H]- 218.08226 152.2
[M+NH4]+ 237.12336 160.1
[M+K]+ 258.05270 151.0
[M+H-H2O]+ 202.08680 140.4
[M+HCOO]- 264.08774 168.4
[M+CH3COO]- 278.10339 189.2
[M+Na-2H]- 240.06421 151.8
[M]+ 219.08899 147.7
[M]- 219.09009 147.7
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

No patent data available for this compound.