CID 3041945

4-propylheptanamide

Structural Information

Molecular Formula
C10H21NO
SMILES
CCCC(CCC)CCC(=O)N
InChI
InChI=1S/C10H21NO/c1-3-5-9(6-4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKey
HCMKEJFDFDFAHN-UHFFFAOYSA-N
Compound name
4-propylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

171.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 144.7
[M+Na]+ 194.151528 149.2
[M-H]- 170.155034 143.8
[M+NH4]+ 189.196133 164.5
[M+K]+ 210.125468 148.3
[M+H-H2O]+ 154.159570 139.2
[M+HCOO]- 216.160511 166.0
[M+CH3COO]- 230.176161 186.2
[M+Na-2H]- 192.136976 146.1
[M]+ 171.16176142 145.0
[M]- 171.16285858 145.0
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

patents stripe