CID 98004

2-hydroxypropyl phenylacetate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(COC(=O)CC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey
DMVWKGDEFQXZJS-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.9
[M+Na]+ 217.08352 153.9
[M+NH4]+ 212.12812 150.2
[M+K]+ 233.05746 148.7
[M-H]- 193.08702 143.5
[M+Na-2H]- 215.06897 148.3
[M]+ 194.09375 144.4
[M]- 194.09485 144.4
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

No patent data available for this compound.