CID 103385

65416-20-8

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1C(OC(OC1C)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H20O2/c1-10-11(2)15-14(16-12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3
InChIKey
SZDSPAWGINTJBP-UHFFFAOYSA-N
Compound name
2-benzyl-4,5,6-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 151.3
[M+Na]+ 243.135548 157.9
[M-H]- 219.139054 159.1
[M+NH4]+ 238.180153 167.5
[M+K]+ 259.109488 157.8
[M+H-H2O]+ 203.143590 144.5
[M+HCOO]- 265.144531 170.0
[M+CH3COO]- 279.160181 190.7
[M+Na-2H]- 241.120996 156.0
[M]+ 220.14578142 151.4
[M]- 220.14687858 151.4
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.