CID 3028409

5-[(3-hydroxyphenyl)methyl]oxolan-2-one

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC(=O)OC1CC2=CC(=CC=C2)O
InChI
InChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2
InChIKey
VYWFHBSBNKNWSB-UHFFFAOYSA-N
Compound name
5-[(3-hydroxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1
Patents

192.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.1
[M+Na]+ 215.067858 146.6
[M-H]- 191.071364 145.3
[M+NH4]+ 210.112463 158.4
[M+K]+ 231.041798 145.1
[M+H-H2O]+ 175.075900 133.6
[M+HCOO]- 237.076841 160.9
[M+CH3COO]- 251.092491 178.5
[M+Na-2H]- 213.053306 143.5
[M]+ 192.07809142 138.3
[M]- 192.07918858 138.3
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