CID 10103286

16874-34-3

Structural Information

Molecular Formula
C7H12O3
SMILES
CCOC(=O)C1CCCO1
InChI
InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
InChIKey
GQQLWKZRORYGHY-UHFFFAOYSA-N
Compound name
ethyl oxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

106
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.7
[M+Na]+ 167.06786 135.8
[M-H]- 143.07136 133.4
[M+NH4]+ 162.11246 151.3
[M+K]+ 183.04180 137.3
[M+H-H2O]+ 127.07590 124.7
[M+HCOO]- 189.07684 151.6
[M+CH3COO]- 203.09249 171.4
[M+Na-2H]- 165.05331 134.5
[M]+ 144.07809 130.1
[M]- 144.07919 130.1
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