CID 137832565

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

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1CCC(C1)CC(C(C(=O)O)O)N
InChI
InChI=1S/C9H17NO3/c10-7(8(11)9(12)13)5-6-3-1-2-4-6/h6-8,11H,1-5,10H2,(H,12,13)
InChIKey
MVPCVSWLCKMXFN-UHFFFAOYSA-N
Compound name
3-amino-4-cyclopentyl-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 145.1
[M+Na]+ 210.11007 147.9
[M-H]- 186.11357 144.5
[M+NH4]+ 205.15467 163.9
[M+K]+ 226.08401 146.8
[M+H-H2O]+ 170.11811 139.5
[M+HCOO]- 232.11905 162.5
[M+CH3COO]- 246.13470 179.2
[M+Na-2H]- 208.09552 143.5
[M]+ 187.12030 138.8
[M]- 187.12140 138.8
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

No patent data available for this compound.