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]+ 186.185236 149.0
[M+Na]+ 208.167178 153.2
[M-H]- 184.170684 148.6
[M+NH4]+ 203.211783 168.7
[M+K]+ 224.141118 152.4
[M+H-H2O]+ 168.175220 143.4
[M+HCOO]- 230.176161 170.6
[M+CH3COO]- 244.191811 189.2
[M+Na-2H]- 206.152626 151.0
[M]+ 185.17741142 150.7
[M]- 185.17850858 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.