CID 9859055

3-amino-4-cyclohexyl-2-hydroxybutanoic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO3
SMILES
C1CCC(CC1)CC(C(C(=O)O)O)N
InChI
InChI=1S/C10H19NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)
InChIKey
LQHZTNXHEVLTBR-UHFFFAOYSA-N
Compound name
3-amino-4-cyclohexyl-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

201.13649 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 148.2
[M+Na]+ 224.12571 149.7
[M-H]- 200.12921 147.1
[M+NH4]+ 219.17031 164.6
[M+K]+ 240.09965 148.5
[M+H-H2O]+ 184.13375 142.3
[M+HCOO]- 246.13469 163.2
[M+CH3COO]- 260.15034 182.7
[M+Na-2H]- 222.11116 147.3
[M]+ 201.13594 140.3
[M]- 201.13704 140.3
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