CID 12648862

(2z)-3-methylpenta-2,4-dienoic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C/C(=C/C(=O)O)/C=C
InChI
InChI=1S/C6H8O2/c1-3-5(2)4-6(7)8/h3-4H,1H2,2H3,(H,7,8)/b5-4-
InChIKey
YMQIIPLNNNGNEB-PLNGDYQASA-N
Compound name
(2Z)-3-methylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

112.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.5
[M+Na]+ 135.04165 128.8
[M-H]- 111.04515 120.7
[M+NH4]+ 130.08625 143.5
[M+K]+ 151.01559 127.7
[M+H-H2O]+ 95.049690 117.6
[M+HCOO]- 157.05063 142.9
[M+CH3COO]- 171.06628 166.6
[M+Na-2H]- 133.02710 125.7
[M]+ 112.05188 120.3
[M]- 112.05298 120.3
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

patents stripe