CID 55299934

2-methoxy-4-methylpent-4-enoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(=C)CC(C(=O)O)OC
InChI
InChI=1S/C7H12O3/c1-5(2)4-6(10-3)7(8)9/h6H,1,4H2,2-3H3,(H,8,9)
InChIKey
XYWQBAVTEGKRQG-UHFFFAOYSA-N
Compound name
2-methoxy-4-methylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

144.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.5
[M+Na]+ 167.067858 136.8
[M-H]- 143.071364 129.5
[M+NH4]+ 162.112463 151.2
[M+K]+ 183.041798 137.0
[M+H-H2O]+ 127.075900 126.2
[M+HCOO]- 189.076841 150.7
[M+CH3COO]- 203.092491 174.2
[M+Na-2H]- 165.053306 132.9
[M]+ 144.07809142 131.3
[M]- 144.07918858 131.3
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