CID 44389510

5-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=C(C=C1)CC2CCC(=O)O2)O
InChI
InChI=1S/C12H14O4/c1-15-11-4-2-8(7-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3
InChIKey
CEZQHDADSGTTOP-UHFFFAOYSA-N
Compound name
5-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.2
[M+Na]+ 245.078418 154.1
[M-H]- 221.081924 152.7
[M+NH4]+ 240.123023 164.6
[M+K]+ 261.052358 152.9
[M+H-H2O]+ 205.086460 140.5
[M+HCOO]- 267.087401 167.9
[M+CH3COO]- 281.103051 184.9
[M+Na-2H]- 243.063866 149.5
[M]+ 222.08865142 147.6
[M]- 222.08974858 147.6
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

No patent data available for this compound.