CID 11105372

4-methyl-3z,5-hexadienoic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C/C(=C/CC(=O)O)/C=C
InChI
InChI=1S/C7H10O2/c1-3-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-
InChIKey
BFUYPWNVMSXEQU-XQRVVYSFSA-N
Compound name
(3Z)-4-methylhexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.2
[M+Na]+ 149.05730 133.1
[M-H]- 125.06080 125.2
[M+NH4]+ 144.10190 147.7
[M+K]+ 165.03124 131.7
[M+H-H2O]+ 109.06534 122.1
[M+HCOO]- 171.06628 147.3
[M+CH3COO]- 185.08193 169.7
[M+Na-2H]- 147.04275 129.8
[M]+ 126.06753 125.3
[M]- 126.06863 125.3
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.