CID 16768971

3-(cyclopentylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC(C1)NCCC(=O)O
InChI
InChI=1S/C8H15NO2/c10-8(11)5-6-9-7-3-1-2-4-7/h7,9H,1-6H2,(H,10,11)
InChIKey
MWKAFAOTXUBGKV-UHFFFAOYSA-N
Compound name
3-(cyclopentylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

157.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.8
[M+Na]+ 180.09950 140.0
[M-H]- 156.10300 137.2
[M+NH4]+ 175.14410 157.0
[M+K]+ 196.07344 138.9
[M+H-H2O]+ 140.10754 130.2
[M+HCOO]- 202.10848 157.5
[M+CH3COO]- 216.12413 175.3
[M+Na-2H]- 178.08495 138.8
[M]+ 157.10973 131.9
[M]- 157.11083 131.9
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

patents stripe