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]+ 317.174726 176.3
[M+Na]+ 339.156668 181.7
[M-H]- 315.160174 179.9
[M+NH4]+ 334.201273 189.3
[M+K]+ 355.130608 177.9
[M+H-H2O]+ 299.164710 168.6
[M+HCOO]- 361.165651 195.1
[M+CH3COO]- 375.181301 202.9
[M+Na-2H]- 337.142116 180.2
[M]+ 316.16690142 179.4
[M]- 316.16799858 179.4
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.