CID 20155191

3-(1-aminocyclohexyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC(CC1)(CCC(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-9(7-4-8(11)12)5-2-1-3-6-9/h1-7,10H2,(H,11,12)
InChIKey
XEZIHBDQTJPSAA-UHFFFAOYSA-N
Compound name
3-(1-aminocyclohexyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

171.12593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.8
[M+Na]+ 194.11515 143.7
[M-H]- 170.11865 140.6
[M+NH4]+ 189.15975 160.4
[M+K]+ 210.08909 142.3
[M+H-H2O]+ 154.12319 134.9
[M+HCOO]- 216.12413 158.5
[M+CH3COO]- 230.13978 177.6
[M+Na-2H]- 192.10060 143.6
[M]+ 171.12538 133.6
[M]- 171.12648 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe