CID 21896

5694-73-5

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1(OCC(O1)CO)CC2=CC=CC=C2
InChI
InChI=1S/C12H16O3/c1-12(14-9-11(8-13)15-12)7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKey
YONKEPVOPVCARG-UHFFFAOYSA-N
Compound name
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 144.8
[M+Na]+ 231.099158 151.7
[M-H]- 207.102664 151.4
[M+NH4]+ 226.143763 164.0
[M+K]+ 247.073098 151.7
[M+H-H2O]+ 191.107200 139.6
[M+HCOO]- 253.108141 165.1
[M+CH3COO]- 267.123791 180.9
[M+Na-2H]- 229.084606 151.3
[M]+ 208.10939142 145.5
[M]- 208.11048858 145.5
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