CID 3063951

1,3-propanediol, 2,2-bis(o-tolyloxymethyl)-

Structural Information

Molecular Formula
C19H24O4
SMILES
CC1=CC=CC=C1OCC(CO)(CO)COC2=CC=CC=C2C
InChI
InChI=1S/C19H24O4/c1-15-7-3-5-9-17(15)22-13-19(11-20,12-21)14-23-18-10-6-4-8-16(18)2/h3-10,20-21H,11-14H2,1-2H3
InChIKey
GLTKUWBCJQRVRF-UHFFFAOYSA-N
Compound name
2,2-bis[(2-methylphenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16745 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17473 176.7
[M+Na]+ 339.15667 189.0
[M+NH4]+ 334.20127 183.3
[M+K]+ 355.13061 182.4
[M-H]- 315.16017 179.1
[M+Na-2H]- 337.14212 183.6
[M]+ 316.16690 179.1
[M]- 316.16800 179.1
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.