CID 6446051

3-hexenamide, 3-propyl-

Structural Information

Molecular Formula
C9H17NO
SMILES
CCC/C(=C\CC)/CC(=O)N
InChI
InChI=1S/C9H17NO/c1-3-5-8(6-4-2)7-9(10)11/h5H,3-4,6-7H2,1-2H3,(H2,10,11)/b8-5+
InChIKey
MWGWJEARKSIRBK-VMPITWQZSA-N
Compound name
(E)-3-propylhex-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.