CID 559170

Hexanamide, n-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCCCC(=O)NCCO
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-8(11)9-6-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKey
HVVJCLNYMSTOMR-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.1
[M+Na]+ 182.11515 143.3
[M-H]- 158.11865 136.6
[M+NH4]+ 177.15975 158.0
[M+K]+ 198.08909 142.3
[M+H-H2O]+ 142.12319 132.9
[M+HCOO]- 204.12413 160.4
[M+CH3COO]- 218.13978 178.6
[M+Na-2H]- 180.10060 142.4
[M]+ 159.12538 138.8
[M]- 159.12648 138.8
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