CID 86514

3-(4-methylphenoxy)propane-1,2-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

182.0943 Da
Monoisotopic Mass

1.0
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