CID 239248

Hexanamide, n-isobutyl

Structural Information

Molecular Formula
C10H21NO
SMILES
CCCCCC(=O)NCC(C)C
InChI
InChI=1S/C10H21NO/c1-4-5-6-7-10(12)11-8-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKey
GALBASZQDFWTEP-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

171.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 143.1
[M+Na]+ 194.15153 151.5
[M+NH4]+ 189.19613 150.3
[M+K]+ 210.12547 146.0
[M-H]- 170.15503 142.7
[M+Na-2H]- 192.13698 145.6
[M]+ 171.16176 143.8
[M]- 171.16286 143.8
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