CID 2773520

110238-91-0

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)C1CCOCC1
InChI
InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey
CNCMVGXVKBJYNU-UHFFFAOYSA-N
Compound name
methyl oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2704
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

literature stripe

Patent stripe

patents stripe