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]+ 223.13288 149.4
[M+Na]+ 245.11482 155.9
[M-H]- 221.11832 155.8
[M+NH4]+ 240.15942 168.1
[M+K]+ 261.08876 155.6
[M+H-H2O]+ 205.12286 144.1
[M+HCOO]- 267.12380 169.4
[M+CH3COO]- 281.13945 183.9
[M+Na-2H]- 243.10027 155.4
[M]+ 222.12505 150.5
[M]- 222.12615 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.