CID 267950

2-hydroxyethyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C9H10O4
SMILES
C1=CC(=CC=C1C(=O)OCCO)O
InChI
InChI=1S/C9H10O4/c10-5-6-13-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
InChIKey
GFHGEIJFEHZKHZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

182.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.2
[M+Na]+ 205.04712 143.6
[M-H]- 181.05062 137.4
[M+NH4]+ 200.09172 154.8
[M+K]+ 221.02106 141.9
[M+H-H2O]+ 165.05516 130.7
[M+HCOO]- 227.05610 157.9
[M+CH3COO]- 241.07175 174.7
[M+Na-2H]- 203.03257 141.5
[M]+ 182.05735 137.1
[M]- 182.05845 137.1
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