CID 16205176

63905-46-4

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(C)(C(=O)OC)OC(=O)C=C
InChI
InChI=1S/C8H12O4/c1-5-6(9)12-8(2,3)7(10)11-4/h5H,1H2,2-4H3
InChIKey
QEEOCOTWUSMGLV-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-prop-2-enoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 134.4
[M+Na]+ 195.062778 141.8
[M-H]- 171.066284 135.0
[M+NH4]+ 190.107383 154.9
[M+K]+ 211.036718 142.6
[M+H-H2O]+ 155.070820 130.3
[M+HCOO]- 217.071761 155.7
[M+CH3COO]- 231.087411 179.0
[M+Na-2H]- 193.048226 139.1
[M]+ 172.07301142 138.4
[M]- 172.07410858 138.4
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.