CID 6880

2-hydroxyethyl salicylate

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

22
References

16748
Patents

182.0579 Da
Monoisotopic Mass

1.9
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