CID 9580346

2-methylbenzaldehyde azine

Structural Information

Molecular Formula
C16H16N2
SMILES
CC1=CC=CC=C1/C=N/N=C/C2=CC=CC=C2C
InChI
InChI=1S/C16H16N2/c1-13-7-3-5-9-15(13)11-17-18-12-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b17-11+,18-12+
InChIKey
NCVDVHCGHMDCSY-JYFOCSDGSA-N
Compound name
(E)-1-(2-methylphenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 154.1
[M+Na]+ 259.120568 161.6
[M-H]- 235.124074 163.5
[M+NH4]+ 254.165173 172.8
[M+K]+ 275.094508 157.7
[M+H-H2O]+ 219.128610 145.6
[M+HCOO]- 281.129551 183.3
[M+CH3COO]- 295.145201 202.3
[M+Na-2H]- 257.106016 161.3
[M]+ 236.13080142 155.4
[M]- 236.13189858 155.4
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

No patent data available for this compound.