CID 121553120

Methyl 2,2-dimethyl-4-oxooxolane-3-carboxylate

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(C(C(=O)CO1)C(=O)OC)C
InChI
InChI=1S/C8H12O4/c1-8(2)6(7(10)11-3)5(9)4-12-8/h6H,4H2,1-3H3
InChIKey
ULQFVFRZYKWDME-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethyl-4-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

172.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 134.9
[M+Na]+ 195.06278 144.3
[M+NH4]+ 190.10738 143.2
[M+K]+ 211.03672 141.0
[M-H]- 171.06628 135.7
[M+Na-2H]- 193.04823 138.6
[M]+ 172.07301 136.3
[M]- 172.07411 136.3
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