CID 95475

2-amino-3-cyclohexylpropanoic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC(CC1)CC(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)
InChIKey
ORQXBVXKBGUSBA-UHFFFAOYSA-N
Compound name
2-amino-3-cyclohexylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63
References

26531
Patents

171.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.7
[M+Na]+ 194.11515 147.1
[M+NH4]+ 189.15975 147.0
[M+K]+ 210.08909 143.1
[M-H]- 170.11865 140.3
[M+Na-2H]- 192.10060 142.5
[M]+ 171.12538 140.4
[M]- 171.12648 140.4
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