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

33
Patents

125.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 127.5
[M+Na]+ 148.073278 134.3
[M-H]- 124.076784 127.3
[M+NH4]+ 143.117883 149.3
[M+K]+ 164.047218 132.5
[M+H-H2O]+ 108.081320 122.8
[M+HCOO]- 170.082261 151.2
[M+CH3COO]- 184.097911 172.9
[M+Na-2H]- 146.058726 132.0
[M]+ 125.08351142 125.8
[M]- 125.08460858 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