CID 216424

2,2-dimethoxy-1-(2-phenylethoxy)ethanol

Structural Information

Molecular Formula
C12H18O4
SMILES
COC(C(O)OCCC1=CC=CC=C1)OC
InChI
InChI=1S/C12H18O4/c1-14-12(15-2)11(13)16-9-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3
InChIKey
CSUCHWPVXAASIC-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-1-(2-phenylethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 151.7
[M+Na]+ 249.109728 156.6
[M-H]- 225.113234 153.3
[M+NH4]+ 244.154333 168.8
[M+K]+ 265.083668 156.2
[M+H-H2O]+ 209.117770 145.1
[M+HCOO]- 271.118711 172.6
[M+CH3COO]- 285.134361 187.5
[M+Na-2H]- 247.095176 155.2
[M]+ 226.11996142 155.3
[M]- 226.12105858 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.