CID 12263583

Ethyl 3-(2-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)CCC1=CC=CC=C1O
InChI
InChI=1S/C11H14O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6,12H,2,7-8H2,1H3
InChIKey
HXMJMZSXBPHDKV-UHFFFAOYSA-N
Compound name
ethyl 3-(2-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.9
[M+Na]+ 217.08352 149.0
[M-H]- 193.08702 144.2
[M+NH4]+ 212.12812 160.9
[M+K]+ 233.05746 147.2
[M+H-H2O]+ 177.09156 136.2
[M+HCOO]- 239.09250 164.3
[M+CH3COO]- 253.10815 181.2
[M+Na-2H]- 215.06897 146.7
[M]+ 194.09375 144.0
[M]- 194.09485 144.0
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