CID 85795

15028-56-5

Structural Information

Molecular Formula
C13H18O3
SMILES
CC1(OCC(O1)COCC2=CC=CC=C2)C
InChI
InChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
DBFDSKSLTCMIPB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
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 148.7
[M+Na]+ 245.114818 155.6
[M-H]- 221.118324 156.5
[M+NH4]+ 240.159423 168.1
[M+K]+ 261.088758 156.3
[M+H-H2O]+ 205.122860 143.1
[M+HCOO]- 267.123801 170.2
[M+CH3COO]- 281.139451 186.5
[M+Na-2H]- 243.100266 155.1
[M]+ 222.12505142 151.6
[M]- 222.12614858 151.6
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

patents stripe