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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.11722	145.0
[M+Na]+	231.09916	156.8
[M+NH4]+	226.14376	154.7
[M+K]+	247.07310	151.3
[M-H]-	207.10266	150.5
[M+Na-2H]-	229.08461	152.0
[M]+	208.10939	148.4
[M]-	208.11049	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe