CID 564

6-aminohexanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
C(CCC(=O)O)CCN
InChI
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey
SLXKOJJOQWFEFD-UHFFFAOYSA-N
Compound name
6-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2431
References

92702
Patents

131.09464 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.1
[M+Na]+ 154.08386 135.0
[M-H]- 130.08736 127.4
[M+NH4]+ 149.12846 149.8
[M+K]+ 170.05780 134.2
[M+H-H2O]+ 114.09190 124.3
[M+HCOO]- 176.09284 151.4
[M+CH3COO]- 190.10849 172.5
[M+Na-2H]- 152.06931 133.4
[M]+ 131.09409 128.1
[M]- 131.09519 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