CID 135939139

4-methylpenta-2,3-dienoic acid

Structural Information

Molecular Formula
C6H9O2
SMILES
CC(=C[CH+]C(=O)O)C
InChI
InChI=1S/C6H8O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/p+1
InChIKey
XZWWIRTVQPJTML-UHFFFAOYSA-O
Compound name
4-methylpent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.06026 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06754 121.9
[M+Na]+ 136.04948 133.6
[M+NH4]+ 131.09408 130.3
[M+K]+ 152.02342 130.0
[M-H]- 112.05298 121.9
[M+Na-2H]- 134.03493 125.7
[M]+ 113.05971 123.6
[M]- 113.06081 123.6
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.