CID 95628

3-(m-tolyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1=CC(=CC=C1)OCC(CO)O
InChI
InChI=1S/C10H14O3/c1-8-3-2-4-10(5-8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChIKey
GIIBAUDXEXFBHL-UHFFFAOYSA-N
Compound name
3-(3-methylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

182.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.0
[M+Na]+ 205.08352 150.3
[M+NH4]+ 200.12812 146.5
[M+K]+ 221.05746 145.2
[M-H]- 181.08702 139.7
[M+Na-2H]- 203.06897 144.4
[M]+ 182.09375 140.6
[M]- 182.09485 140.6
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