CID 14341

1135-70-2

Structural Information

Molecular Formula
C12H16O3
SMILES
CCC1(OCC(O1)CO)C2=CC=CC=C2
InChI
InChI=1S/C12H16O3/c1-2-12(10-6-4-3-5-7-10)14-9-11(8-13)15-12/h3-7,11,13H,2,8-9H2,1H3
InChIKey
MNDLRZFXJPXXCG-UHFFFAOYSA-N
Compound name
(2-ethyl-2-phenyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 144.8
[M+Na]+ 231.09916 151.7
[M-H]- 207.10266 151.4
[M+NH4]+ 226.14376 164.0
[M+K]+ 247.07310 151.7
[M+H-H2O]+ 191.10720 139.6
[M+HCOO]- 253.10814 165.1
[M+CH3COO]- 267.12379 180.9
[M+Na-2H]- 229.08461 151.3
[M]+ 208.10939 145.5
[M]- 208.11049 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

literature stripe

Patent stripe

No patent data available for this compound.