CID 79087

5-aminohexanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(CCCC(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKey
IPCUHQYGWOKSLR-UHFFFAOYSA-N
Compound name
5-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

605
Patents

131.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.7
[M+Na]+ 154.083858 135.5
[M-H]- 130.087364 128.1
[M+NH4]+ 149.128463 150.4
[M+K]+ 170.057798 135.1
[M+H-H2O]+ 114.091900 125.0
[M+HCOO]- 176.092841 151.1
[M+CH3COO]- 190.108491 173.4
[M+Na-2H]- 152.069306 132.7
[M]+ 131.09409142 128.1
[M]- 131.09518858 128.1
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