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

44
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 128.7
[M+Na]+ 167.067858 133.9
[M-H]- 143.071364 132.3
[M+NH4]+ 162.112463 148.5
[M+K]+ 183.041798 135.6
[M+H-H2O]+ 127.075900 123.3
[M+HCOO]- 189.076841 148.6
[M+CH3COO]- 203.092491 171.7
[M+Na-2H]- 165.053306 134.8
[M]+ 144.07809142 127.1
[M]- 144.07918858 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