CID 21909470

Oxan-2-yl prop-2-enoate

Structural Information

Molecular Formula
C8H12O3
SMILES
C=CC(=O)OC1CCCCO1
InChI
InChI=1S/C8H12O3/c1-2-7(9)11-8-5-3-4-6-10-8/h2,8H,1,3-6H2
InChIKey
FGWRVVZMNXRWDQ-UHFFFAOYSA-N
Compound name
oxan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1586
Patents

156.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.9
[M+Na]+ 179.06786 137.0
[M-H]- 155.07136 135.4
[M+NH4]+ 174.11246 151.2
[M+K]+ 195.04180 137.8
[M+H-H2O]+ 139.07590 126.4
[M+HCOO]- 201.07684 151.7
[M+CH3COO]- 215.09249 173.9
[M+Na-2H]- 177.05331 137.6
[M]+ 156.07809 130.0
[M]- 156.07919 130.0
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