CID 247614

1,3-bis(benzyloxy)propan-2-ol

Structural Information

Molecular Formula
C17H20O3
SMILES
C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O
InChI
InChI=1S/C17H20O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
ARLSYSVVBAMYKA-UHFFFAOYSA-N
Compound name
1,3-bis(phenylmethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

618
Patents

272.14124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 164.3
[M+Na]+ 295.13046 168.6
[M-H]- 271.13396 168.7
[M+NH4]+ 290.17506 179.1
[M+K]+ 311.10440 165.3
[M+H-H2O]+ 255.13850 156.1
[M+HCOO]- 317.13944 185.8
[M+CH3COO]- 331.15509 195.3
[M+Na-2H]- 293.11591 169.0
[M]+ 272.14069 166.1
[M]- 272.14179 166.1
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