CID 90911

23364-04-7

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC(CC=C1)C(C(=O)O)N

InChI

InChI=1S/C8H13NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6-7H,3-5,9H2,(H,10,11)

InChIKey

PWXCLVASQNMYJV-UHFFFAOYSA-N

Compound name

2-amino-2-cyclohex-3-en-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 155.09464 Da
Monoisotopic Mass: -1.6
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]+	156.101916	133.9
[M+Na]+	178.083858	138.1
[M-H]-	154.087364	135.0
[M+NH4]+	173.128463	153.1
[M+K]+	194.057798	136.9
[M+H-H2O]+	138.091900	128.3
[M+HCOO]-	200.092841	153.4
[M+CH3COO]-	214.108491	175.5
[M+Na-2H]-	176.069306	136.8
[M]+	155.09409142	127.7
[M]-	155.09518858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe