CID 20396

4379-18-4

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1=CC=CC=C1C2(OCC(O2)CO)C
InChI
InChI=1S/C12H16O3/c1-9-5-3-4-6-11(9)12(2)14-8-10(7-13)15-12/h3-6,10,13H,7-8H2,1-2H3
InChIKey
RRJZBWCMQLDFRF-UHFFFAOYSA-N
Compound name
[2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 144.2
[M+Na]+ 231.09916 152.1
[M-H]- 207.10266 151.2
[M+NH4]+ 226.14376 163.8
[M+K]+ 247.07310 152.0
[M+H-H2O]+ 191.10720 139.4
[M+HCOO]- 253.10814 164.5
[M+CH3COO]- 267.12379 182.1
[M+Na-2H]- 229.08461 150.1
[M]+ 208.10939 145.4
[M]- 208.11049 145.4
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.