CID 55253119

(s)-3-amino-3-cyclopentylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC(C1)[C@H](CC(=O)O)N
InChI
InChI=1S/C8H15NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKey
SPOIBOUMGDWHCR-ZETCQYMHSA-N
Compound name
(3S)-3-amino-3-cyclopentylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 137.0
[M+Na]+ 180.09950 141.0
[M-H]- 156.10300 137.9
[M+NH4]+ 175.14410 157.8
[M+K]+ 196.07344 139.9
[M+H-H2O]+ 140.10754 131.4
[M+HCOO]- 202.10848 157.0
[M+CH3COO]- 216.12413 175.6
[M+Na-2H]- 178.08495 137.6
[M]+ 157.10973 131.4
[M]- 157.11083 131.4
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.