CID 122484807

Methyl 4-methoxy-3-methylbut-2-enoate

Structural Information

Molecular Formula
C7H12O3
SMILES
C/C(=C\C(=O)OC)/COC
InChI
InChI=1S/C7H12O3/c1-6(5-9-2)4-7(8)10-3/h4H,5H2,1-3H3/b6-4+
InChIKey
ZHSTUZWFIGCXCW-GQCTYLIASA-N
Compound name
methyl (E)-4-methoxy-3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.9
[M+Na]+ 167.067858 137.1
[M-H]- 143.071364 130.4
[M+NH4]+ 162.112463 151.6
[M+K]+ 183.041798 137.8
[M+H-H2O]+ 127.075900 125.4
[M+HCOO]- 189.076841 152.6
[M+CH3COO]- 203.092491 174.6
[M+Na-2H]- 165.053306 134.1
[M]+ 144.07809142 133.2
[M]- 144.07918858 133.2
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