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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.096816	145.9
[M+Na]+	242.078758	153.5
[M-H]-	218.082264	152.2
[M+NH4]+	237.123363	160.1
[M+K]+	258.052698	151.0
[M+H-H2O]+	202.086800	140.4
[M+HCOO]-	264.087741	168.4
[M+CH3COO]-	278.103391	189.2
[M+Na-2H]-	240.064206	151.8
[M]+	219.08899142	147.7
[M]-	219.09008858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.