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]+ 223.09648 146.2
[M+Na]+ 245.07842 154.1
[M-H]- 221.08192 152.7
[M+NH4]+ 240.12302 164.6
[M+K]+ 261.05236 152.9
[M+H-H2O]+ 205.08646 140.5
[M+HCOO]- 267.08740 167.9
[M+CH3COO]- 281.10305 184.9
[M+Na-2H]- 243.06387 149.5
[M]+ 222.08865 147.6
[M]- 222.08975 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.