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

23
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 144.1
[M+Na]+ 208.13081 147.5
[M-H]- 184.13431 144.7
[M+NH4]+ 203.17541 162.4
[M+K]+ 224.10475 145.6
[M+H-H2O]+ 168.13885 138.2
[M+HCOO]- 230.13979 162.4
[M+CH3COO]- 244.15544 182.3
[M+Na-2H]- 206.11626 145.4
[M]+ 185.14104 138.2
[M]- 185.14214 138.2
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