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

6
References

7351
Patents

157.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.8
[M+Na]+ 180.09950 138.9
[M-H]- 156.10300 136.5
[M+NH4]+ 175.14410 154.8
[M+K]+ 196.07344 138.0
[M+H-H2O]+ 140.10754 130.2
[M+HCOO]- 202.10848 153.7
[M+CH3COO]- 216.12413 175.9
[M+Na-2H]- 178.08495 137.6
[M]+ 157.10973 128.2
[M]- 157.11083 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