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 149.0
[M+Na]+ 208.16718 153.2
[M-H]- 184.17068 148.6
[M+NH4]+ 203.21178 168.7
[M+K]+ 224.14112 152.4
[M+H-H2O]+ 168.17522 143.4
[M+HCOO]- 230.17616 170.6
[M+CH3COO]- 244.19181 189.2
[M+Na-2H]- 206.15263 151.0
[M]+ 185.17741 150.7
[M]- 185.17851 150.7
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.