CID 12332

Hexanamide

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

41
References

34843
Patents

115.09972 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.