CID 38663

N-(4-heptyl)butyramide

Structural Information

Molecular Formula
C11H23NO
SMILES
CCCC(CCC)NC(=O)CCC
InChI
InChI=1S/C11H23NO/c1-4-7-10(8-5-2)12-11(13)9-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKey
LUMTXZJTGMBMOV-UHFFFAOYSA-N
Compound name
N-heptan-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.18524 147.5
[M+Na]+ 208.16718 155.7
[M+NH4]+ 203.21178 154.5
[M+K]+ 224.14112 150.0
[M-H]- 184.17068 147.0
[M+Na-2H]- 206.15263 149.7
[M]+ 185.17741 148.2
[M]- 185.17851 148.2
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.