CID 11550142

5-[(4-hydroxyphenyl)methyl]oxolan-2-one

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 193.08592 140.4
[M+Na]+ 215.06786 152.3
[M+NH4]+ 210.11246 148.7
[M+K]+ 231.04180 148.5
[M-H]- 191.07136 144.4
[M+Na-2H]- 213.05331 146.2
[M]+ 192.07809 143.1
[M]- 192.07919 143.1
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