CID 37369

Propranolol glycol

Structural Information

Molecular Formula
C13H14O3
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CO)O
InChI
InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2
InChIKey
BYNNMWGWFIGTIC-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yloxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

76
Patents

218.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 147.1
[M+Na]+ 241.08352 159.8
[M+NH4]+ 236.12812 155.5
[M+K]+ 257.05746 153.4
[M-H]- 217.08702 148.9
[M+Na-2H]- 239.06897 153.3
[M]+ 218.09375 149.4
[M]- 218.09485 149.4
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