CID 12678994

77133-05-2

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(COC(C1=O)C(=O)OC)C
InChI
InChI=1S/C8H12O4/c1-8(2)4-12-5(6(8)9)7(10)11-3/h5H,4H2,1-3H3
InChIKey
GFQBPXVIQPPCKO-UHFFFAOYSA-N
Compound name
methyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 131.5
[M+Na]+ 195.06278 140.3
[M-H]- 171.06628 136.3
[M+NH4]+ 190.10738 154.7
[M+K]+ 211.03672 141.6
[M+H-H2O]+ 155.07082 128.2
[M+HCOO]- 217.07176 153.6
[M+CH3COO]- 231.08741 177.5
[M+Na-2H]- 193.04823 136.3
[M]+ 172.07301 134.3
[M]- 172.07411 134.3
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

No patent data available for this compound.