CID 63333090

Methyl 3-hydroxyoxolane-3-carboxylate

Structural Information

Molecular Formula
C6H10O4
SMILES
COC(=O)C1(CCOC1)O
InChI
InChI=1S/C6H10O4/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3
InChIKey
QPRKVXUJICVISB-UHFFFAOYSA-N
Compound name
methyl 3-hydroxyoxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 127.3
[M+Na]+ 169.047118 134.3
[M-H]- 145.050624 130.2
[M+NH4]+ 164.091723 150.2
[M+K]+ 185.021058 135.8
[M+H-H2O]+ 129.055160 123.7
[M+HCOO]- 191.056101 148.3
[M+CH3COO]- 205.071751 167.4
[M+Na-2H]- 167.032566 133.6
[M]+ 146.05735142 127.4
[M]- 146.05844858 127.4
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

patents stripe