CID 12140

1,3-diphenoxy-2-propanol

Structural Information

Molecular Formula
C15H16O3
SMILES
C1=CC=C(C=C1)OCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C15H16O3/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKey
NKCVHIPHZCIEFC-UHFFFAOYSA-N
Compound name
1,3-diphenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

361
Patents

244.10994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 155.1
[M+Na]+ 267.099158 160.3
[M-H]- 243.102664 159.8
[M+NH4]+ 262.143763 171.0
[M+K]+ 283.073098 157.4
[M+H-H2O]+ 227.107200 147.3
[M+HCOO]- 289.108141 177.3
[M+CH3COO]- 303.123791 189.4
[M+Na-2H]- 265.084606 160.9
[M]+ 244.10939142 156.2
[M]- 244.11048858 156.2
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