CID 13208

2,4,6-trimethyl-1,3,5-triazine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=NC(=NC(=N1)C)C
InChI
InChI=1S/C6H9N3/c1-4-7-5(2)9-6(3)8-4/h1-3H3
InChIKey
LASVAZQZFYZNPK-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2594
Patents

123.07965 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.8
[M+Na]+ 146.068868 134.6
[M-H]- 122.072374 124.1
[M+NH4]+ 141.113473 142.8
[M+K]+ 162.042808 133.0
[M+H-H2O]+ 106.076910 116.6
[M+HCOO]- 168.077851 145.4
[M+CH3COO]- 182.093501 172.8
[M+Na-2H]- 144.054316 132.3
[M]+ 123.07910142 124.9
[M]- 123.08019858 124.9
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