CID 3043304

55327-20-3

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCC(CCC)CC(=O)N
InChI
InChI=1S/C9H19NO/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKey
KAACLWQGBIEOGR-UHFFFAOYSA-N
Compound name
3-propylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

157.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 140.0
[M+Na]+ 180.13589 145.0
[M-H]- 156.13939 139.4
[M+NH4]+ 175.18049 160.5
[M+K]+ 196.10983 144.4
[M+H-H2O]+ 140.14393 134.8
[M+HCOO]- 202.14487 161.7
[M+CH3COO]- 216.16052 183.1
[M+Na-2H]- 178.12134 142.0
[M]+ 157.14612 140.0
[M]- 157.14722 140.0
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