CID 335846

2-(cyclohexen-1-yl)glycine

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CCC(=CC1)C(C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h4,7H,1-3,5,9H2,(H,10,11)
InChIKey
AVTKZPFBQWAWKT-UHFFFAOYSA-N
Compound name
2-amino-2-(cyclohexen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

155.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe