CID 81605237

1563680-03-4

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)/C=C/C1CCOC1
InChI
InChI=1S/C8H12O3/c1-10-8(9)3-2-7-4-5-11-6-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKey
UNDVJGZEBGHKHP-NSCUHMNNSA-N
Compound name
methyl (E)-3-(oxolan-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

156.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 133.3
[M+Na]+ 179.06786 139.4
[M-H]- 155.07136 137.0
[M+NH4]+ 174.11246 154.5
[M+K]+ 195.04180 140.1
[M+H-H2O]+ 139.07590 128.3
[M+HCOO]- 201.07684 155.1
[M+CH3COO]- 215.09249 172.9
[M+Na-2H]- 177.05331 137.6
[M]+ 156.07809 133.4
[M]- 156.07919 133.4
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

No patent data available for this compound.