CID 66885

1,3-bis(2-hydroxyethoxy)benzene

Structural Information

Molecular Formula
C10H14O4
SMILES
C1=CC(=CC(=C1)OCCO)OCCO
InChI
InChI=1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
InChIKey
IAXFZZHBFXRZMT-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethoxy)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6433
Patents

198.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 141.4
[M+Na]+ 221.078418 148.2
[M-H]- 197.081924 142.2
[M+NH4]+ 216.123023 159.4
[M+K]+ 237.052358 146.4
[M+H-H2O]+ 181.086460 135.5
[M+HCOO]- 243.087401 163.5
[M+CH3COO]- 257.103051 178.4
[M+Na-2H]- 219.063866 147.4
[M]+ 198.08865142 144.1
[M]- 198.08974858 144.1
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