CID 6393835

Methyl (2e,5e)-hepta-2,5-dienoate

Structural Information

Molecular Formula
C8H12O2
SMILES
C/C=C/C/C=C/C(=O)OC
InChI
InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+
InChIKey
AEKZTVSCWKESCZ-FZWLCVONSA-N
Compound name
methyl (2E,5E)-hepta-2,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 130.0
[M+Na]+ 163.072938 137.4
[M-H]- 139.076444 130.3
[M+NH4]+ 158.117543 151.9
[M+K]+ 179.046878 136.3
[M+H-H2O]+ 123.080980 125.6
[M+HCOO]- 185.081921 153.4
[M+CH3COO]- 199.097571 173.2
[M+Na-2H]- 161.058386 135.0
[M]+ 140.08317142 132.0
[M]- 140.08426858 132.0
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