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]+ 147.06518 127.3
[M+Na]+ 169.04712 134.3
[M-H]- 145.05062 130.2
[M+NH4]+ 164.09172 150.2
[M+K]+ 185.02106 135.8
[M+H-H2O]+ 129.05516 123.7
[M+HCOO]- 191.05610 148.3
[M+CH3COO]- 205.07175 167.4
[M+Na-2H]- 167.03257 133.6
[M]+ 146.05735 127.4
[M]- 146.05845 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