CID 11693907

Hepta-2,4-dienamide

Structural Information

Molecular Formula
C7H11NO
SMILES
CC/C=C/C=C/C(=O)N
InChI
InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H2,8,9)/b4-3+,6-5+
InChIKey
KITQGYOSLQTCSD-VNKDHWASSA-N
Compound name
(2E,4E)-hepta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

125.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 127.5
[M+Na]+ 148.07328 134.3
[M-H]- 124.07678 127.3
[M+NH4]+ 143.11788 149.3
[M+K]+ 164.04722 132.5
[M+H-H2O]+ 108.08132 122.8
[M+HCOO]- 170.08226 151.2
[M+CH3COO]- 184.09791 172.9
[M+Na-2H]- 146.05873 132.0
[M]+ 125.08351 125.8
[M]- 125.08461 125.8
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

patents stripe