CID 20397

4379-22-0

Structural Information

Molecular Formula
C13H18O3
SMILES
CCCC1(OCC(O1)CO)C2=CC=CC=C2
InChI
InChI=1S/C13H18O3/c1-2-8-13(11-6-4-3-5-7-11)15-10-12(9-14)16-13/h3-7,12,14H,2,8-10H2,1H3
InChIKey
WTRULDHVZHPDHC-UHFFFAOYSA-N
Compound name
(2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 149.4
[M+Na]+ 245.114818 155.9
[M-H]- 221.118324 155.8
[M+NH4]+ 240.159423 168.1
[M+K]+ 261.088758 155.6
[M+H-H2O]+ 205.122860 144.1
[M+HCOO]- 267.123801 169.4
[M+CH3COO]- 281.139451 183.9
[M+Na-2H]- 243.100266 155.4
[M]+ 222.12505142 150.5
[M]- 222.12614858 150.5
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

No patent data available for this compound.