CID 76670

Methyl 4-(2-hydroxyethoxy)benzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
COC(=O)C1=CC=C(C=C1)OCCO
InChI
InChI=1S/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3
InChIKey
VFBYWNSASHHPPA-UHFFFAOYSA-N
Compound name
methyl 4-(2-hydroxyethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

196.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.9
[M+Na]+ 219.06278 152.4
[M+NH4]+ 214.10738 147.9
[M+K]+ 235.03672 147.4
[M-H]- 195.06628 141.3
[M+Na-2H]- 217.04823 146.3
[M]+ 196.07301 142.4
[M]- 196.07411 142.4
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