CID 33631

3-(cyclohexylamino)propanoic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC(CC1)NCCC(=O)O
InChI
InChI=1S/C9H17NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)
InChIKey
ATFRXUJCSMOJPH-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

85
Patents

171.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.5
[M+Na]+ 194.11515 147.6
[M+NH4]+ 189.15975 147.1
[M+K]+ 210.08909 142.5
[M-H]- 170.11865 140.6
[M+Na-2H]- 192.10060 143.2
[M]+ 171.12538 140.5
[M]- 171.12648 140.5
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