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
2
Annotation Hits

2
References

306
Patents

244.10994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 155.9
[M+Na]+ 267.09916 169.4
[M+NH4]+ 262.14376 164.2
[M+K]+ 283.07310 162.0
[M-H]- 243.10266 159.8
[M+Na-2H]- 265.08461 165.1
[M]+ 244.10939 158.9
[M]- 244.11049 158.9
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