CID 5995953

65527-85-7

Structural Information

Molecular Formula
C7H12O3
SMILES
CCOC(=O)/C=C(\C)/CO
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)4-6(2)5-8/h4,8H,3,5H2,1-2H3/b6-4+
InChIKey
GJPOQWCBISWQSP-GQCTYLIASA-N
Compound name
ethyl (E)-4-hydroxy-3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 131.0
[M+Na]+ 167.067858 137.7
[M-H]- 143.071364 129.9
[M+NH4]+ 162.112463 151.9
[M+K]+ 183.041798 137.4
[M+H-H2O]+ 127.075900 126.6
[M+HCOO]- 189.076841 152.1
[M+CH3COO]- 203.092491 172.0
[M+Na-2H]- 165.053306 134.5
[M]+ 144.07809142 132.2
[M]- 144.07918858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe