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

85
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

literature stripe

Patent stripe

patents stripe