CID 11126261

4-methylhexa-2,4-dienoic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C/C=C(\C)/C=C/C(=O)O
InChI
InChI=1S/C7H10O2/c1-3-6(2)4-5-7(8)9/h3-5H,1-2H3,(H,8,9)/b5-4+,6-3+
InChIKey
QAJOHPAPIABXTF-UTTVJGTNSA-N
Compound name
(2E,4E)-4-methylhexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

126.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 127.9
[M+Na]+ 149.05730 137.3
[M+NH4]+ 144.10190 134.7
[M+K]+ 165.03124 132.8
[M-H]- 125.06080 125.8
[M+Na-2H]- 147.04275 130.2
[M]+ 126.06753 128.3
[M]- 126.06863 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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