CID 13082554

18729-20-9

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)C1CCCOC1
InChI
InChI=1S/C7H12O3/c1-9-7(8)6-3-2-4-10-5-6/h6H,2-5H2,1H3
InChIKey
RWQWURYBHIADGX-UHFFFAOYSA-N
Compound name
methyl oxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.7
[M+Na]+ 167.06786 133.9
[M-H]- 143.07136 132.3
[M+NH4]+ 162.11246 148.5
[M+K]+ 183.04180 135.6
[M+H-H2O]+ 127.07590 123.3
[M+HCOO]- 189.07684 148.6
[M+CH3COO]- 203.09249 171.7
[M+Na-2H]- 165.05331 134.8
[M]+ 144.07809 127.1
[M]- 144.07919 127.1
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