CID 52841

5-benzylideneimino-5-methyl-1,3-dioxane

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1(COCOC1)N=CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-12(8-14-10-15-9-12)13-7-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey
WDEMHGDMDJWRJE-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3-dioxan-5-yl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.1
[M+Na]+ 228.09950 150.6
[M-H]- 204.10300 153.8
[M+NH4]+ 223.14410 163.2
[M+K]+ 244.07344 151.4
[M+H-H2O]+ 188.10754 137.9
[M+HCOO]- 250.10848 167.2
[M+CH3COO]- 264.12413 186.7
[M+Na-2H]- 226.08495 154.8
[M]+ 205.10973 143.9
[M]- 205.11083 143.9
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.