CID 24973513

1-aminohexan-3-onehydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCC(=O)CCN
InChI
InChI=1S/C6H13NO/c1-2-3-6(8)4-5-7/h2-5,7H2,1H3
InChIKey
JQDMZKNBWABZJT-UHFFFAOYSA-N
Compound name
1-aminohexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.6
[M+Na]+ 138.08894 132.0
[M-H]- 114.09244 125.4
[M+NH4]+ 133.13354 147.7
[M+K]+ 154.06288 131.7
[M+H-H2O]+ 98.096980 120.8
[M+HCOO]- 160.09792 149.2
[M+CH3COO]- 174.11357 173.1
[M+Na-2H]- 136.07439 130.5
[M]+ 115.09917 125.1
[M]- 115.10027 125.1
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