CID 690034

Methyl 2-(4-hydroxymethylphenoxy)acetate

Structural Information

Molecular Formula
C10H12O4
SMILES
COC(=O)COC1=CC=C(C=C1)CO
InChI
InChI=1S/C10H12O4/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5,11H,6-7H2,1H3
InChIKey
KHUZRBIZTBWIIR-UHFFFAOYSA-N
Compound name
methyl 2-[4-(hydroxymethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

196.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.1
[M+Na]+ 219.06278 147.5
[M-H]- 195.06628 142.6
[M+NH4]+ 214.10738 158.9
[M+K]+ 235.03672 146.5
[M+H-H2O]+ 179.07082 134.3
[M+HCOO]- 241.07176 163.0
[M+CH3COO]- 255.08741 180.3
[M+Na-2H]- 217.04823 145.5
[M]+ 196.07301 143.3
[M]- 196.07411 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