CID 3041946

2-hexenamide, 3-propyl-

Structural Information

Molecular Formula
C9H17NO
SMILES
CCCC(=CC(=O)N)CCC
InChI
InChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKey
NHMYHAJXJQVPIO-UHFFFAOYSA-N
Compound name
3-propylhex-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

155.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 138.6
[M+Na]+ 178.12023 144.0
[M-H]- 154.12373 138.1
[M+NH4]+ 173.16483 159.2
[M+K]+ 194.09417 142.7
[M+H-H2O]+ 138.12827 133.5
[M+HCOO]- 200.12921 160.5
[M+CH3COO]- 214.14486 181.5
[M+Na-2H]- 176.10568 140.7
[M]+ 155.13046 137.8
[M]- 155.13156 137.8
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.