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

165
Patents

196.07356 Da
Monoisotopic Mass

1.6
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