CID 203567

2-benzyloxy-1,3-propanediol

Structural Information

Molecular Formula
C10H14O3
SMILES
C1=CC=C(C=C1)COC(CO)CO
InChI
InChI=1S/C10H14O3/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
UDIPIOHLDFSMLR-UHFFFAOYSA-N
Compound name
2-phenylmethoxypropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

841
Patents

182.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.5
[M+Na]+ 205.08352 150.4
[M+NH4]+ 200.12812 147.0
[M+K]+ 221.05746 145.1
[M-H]- 181.08702 140.1
[M+Na-2H]- 203.06897 145.0
[M]+ 182.09375 141.0
[M]- 182.09485 141.0
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