CID 44171789

2171204-32-1

Structural Information

Molecular Formula
C10H19NO2
SMILES
C1CCC(CC1)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C10H19NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey
KFJPIMWRYYGPGM-VIFPVBQESA-N
Compound name
(3S)-3-amino-4-cyclohexylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

185.14159 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.9
[M+Na]+ 208.130808 147.1
[M-H]- 184.134314 145.1
[M+NH4]+ 203.175413 162.7
[M+K]+ 224.104748 145.7
[M+H-H2O]+ 168.138850 138.8
[M+HCOO]- 230.139791 162.2
[M+CH3COO]- 244.155441 182.0
[M+Na-2H]- 206.116256 145.6
[M]+ 185.14104142 138.0
[M]- 185.14213858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe