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

25
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 128.3
[M+Na]+ 148.07328 137.4
[M+NH4]+ 143.11788 135.4
[M+K]+ 164.04722 131.9
[M-H]- 124.07678 127.5
[M+Na-2H]- 146.05873 131.2
[M]+ 125.08351 128.9
[M]- 125.08461 128.9
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