CID 113941

3-(4-chloro-3-methylphenoxy)-2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C11H15ClO3
SMILES
CC1=C(C=CC(=C1)OCC(C)(CO)O)Cl
InChI
InChI=1S/C11H15ClO3/c1-8-5-9(3-4-10(8)12)15-7-11(2,14)6-13/h3-5,13-14H,6-7H2,1-2H3
InChIKey
QYSUVIBYLINMGG-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-methylphenoxy)-2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07097 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07825 148.7
[M+Na]+ 253.06019 161.0
[M+NH4]+ 248.10479 156.2
[M+K]+ 269.03413 155.4
[M-H]- 229.06369 149.0
[M+Na-2H]- 251.04564 154.0
[M]+ 230.07042 150.8
[M]- 230.07152 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.