CID 68772576

2680543-22-8

Structural Information

Molecular Formula
C10H19NO2
SMILES
C1CCC(C(C1)CCCC(=O)O)N
InChI
InChI=1S/C10H19NO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h8-9H,1-7,11H2,(H,12,13)
InChIKey
VZHAQTKJUZZWBZ-UHFFFAOYSA-N
Compound name
4-(2-aminocyclohexyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.14159 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.5
[M+Na]+ 208.13081 151.4
[M+NH4]+ 203.17541 150.7
[M+K]+ 224.10475 146.6
[M-H]- 184.13431 144.3
[M+Na-2H]- 206.11626 146.2
[M]+ 185.14104 144.4
[M]- 185.14214 144.4
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