CID 13780562

Methyl 2,2-dimethyloxolane-3-carboxylate

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(C(CCO1)C(=O)OC)C
InChI
InChI=1S/C8H14O3/c1-8(2)6(4-5-11-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKey
UESWQCYITOFYJF-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethyloxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 131.6
[M+Na]+ 181.083518 139.3
[M-H]- 157.087024 136.0
[M+NH4]+ 176.128123 155.2
[M+K]+ 197.057458 140.7
[M+H-H2O]+ 141.091560 128.0
[M+HCOO]- 203.092501 153.3
[M+CH3COO]- 217.108151 175.1
[M+Na-2H]- 179.068966 136.7
[M]+ 158.09375142 133.2
[M]- 158.09484858 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

No patent data available for this compound.