CID 90603

2-methyl-2-phenylpropane-1,3-diol

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(CO)(CO)C1=CC=CC=C1
InChI
InChI=1S/C10H14O2/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
InChIKey
BHEIMYVOVVBWRL-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

696
Patents

166.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 136.2
[M+Na]+ 189.08860 147.7
[M+NH4]+ 184.13320 144.3
[M+K]+ 205.06254 142.3
[M-H]- 165.09210 137.0
[M+Na-2H]- 187.07405 142.6
[M]+ 166.09883 138.0
[M]- 166.09993 138.0
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

patents stripe