CID 54593670

3-amino-2-(cyclopentylmethyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC(C1)CC(CN)C(=O)O
InChI
InChI=1S/C9H17NO2/c10-6-8(9(11)12)5-7-3-1-2-4-7/h7-8H,1-6,10H2,(H,11,12)
InChIKey
YLRYOSMRXZIAHT-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-cyclopentylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.7
[M+Na]+ 194.11515 146.9
[M+NH4]+ 189.15975 147.7
[M+K]+ 210.08909 145.0
[M-H]- 170.11865 140.5
[M+Na-2H]- 192.10060 142.4
[M]+ 171.12538 140.9
[M]- 171.12648 140.9
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.