CID 224391

2-amino-2-cyclohexylacetic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC(CC1)C(C(=O)O)N
InChI
InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)
InChIKey
WAMWSIDTKSNDCU-UHFFFAOYSA-N
Compound name
2-amino-2-cyclohexylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13469
Patents

157.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.8
[M+Na]+ 180.099498 138.9
[M-H]- 156.103004 136.5
[M+NH4]+ 175.144103 154.8
[M+K]+ 196.073438 138.0
[M+H-H2O]+ 140.107540 130.2
[M+HCOO]- 202.108481 153.7
[M+CH3COO]- 216.124131 175.9
[M+Na-2H]- 178.084946 137.6
[M]+ 157.10973142 128.2
[M]- 157.11082858 128.2
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