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

14
Patents

171.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 143.0
[M+Na]+ 194.15153 151.1
[M+NH4]+ 189.19613 150.0
[M+K]+ 210.12547 145.8
[M-H]- 170.15503 142.4
[M+Na-2H]- 192.13698 145.0
[M]+ 171.16176 143.6
[M]- 171.16286 143.6
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