CID 13187337

Ethyl 2-(4-hydroxyphenoxy)acetate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)COC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O4/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3
InChIKey
PBQNKBWWOXOAOE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

203
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.1
[M+Na]+ 219.062778 147.5
[M-H]- 195.066284 142.6
[M+NH4]+ 214.107383 158.9
[M+K]+ 235.036718 146.5
[M+H-H2O]+ 179.070820 134.3
[M+HCOO]- 241.071761 163.0
[M+CH3COO]- 255.087411 180.3
[M+Na-2H]- 217.048226 145.5
[M]+ 196.07301142 143.3
[M]- 196.07410858 143.3
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