CID 107300

4563-40-0

Structural Information

Molecular Formula
C9H12O3
SMILES
C=CC(=O)OCC1CCC=CO1
InChI
InChI=1S/C9H12O3/c1-2-9(10)12-7-8-5-3-4-6-11-8/h2,4,6,8H,1,3,5,7H2
InChIKey
ZPMJPLRFVUUDDF-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-2-ylmethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 134.7
[M+Na]+ 191.067858 140.5
[M-H]- 167.071364 138.4
[M+NH4]+ 186.112463 153.6
[M+K]+ 207.041798 140.8
[M+H-H2O]+ 151.075900 129.0
[M+HCOO]- 213.076841 155.6
[M+CH3COO]- 227.092491 176.5
[M+Na-2H]- 189.053306 140.8
[M]+ 168.07809142 134.6
[M]- 168.07918858 134.6
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