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]+ 156.138286 138.6
[M+Na]+ 178.120228 144.0
[M-H]- 154.123734 138.1
[M+NH4]+ 173.164833 159.2
[M+K]+ 194.094168 142.7
[M+H-H2O]+ 138.128270 133.5
[M+HCOO]- 200.129211 160.5
[M+CH3COO]- 214.144861 181.5
[M+Na-2H]- 176.105676 140.7
[M]+ 155.13046142 137.8
[M]- 155.13155858 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