CID 5282659

3-methyl-3z-pentenoic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C/C=C(/C)\CC(=O)O
InChI
InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H,7,8)/b5-3-
InChIKey
OGVROELYPSGUQB-HYXAFXHYSA-N
Compound name
(Z)-3-methylpent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

114.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.1
[M+Na]+ 137.05730 130.2
[M-H]- 113.06080 122.3
[M+NH4]+ 132.10190 145.2
[M+K]+ 153.03124 129.7
[M+H-H2O]+ 97.065340 119.2
[M+HCOO]- 159.06628 144.4
[M+CH3COO]- 173.08193 167.6
[M+Na-2H]- 135.04275 127.3
[M]+ 114.06753 122.6
[M]- 114.06863 122.6
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.