CID 3058042

As-triazine, 3-methoxy-5-(p-tolyl)-

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)OC
InChI
InChI=1S/C11H11N3O/c1-8-3-5-9(6-4-8)10-7-12-14-11(13-10)15-2/h3-7H,1-2H3
InChIKey
QPJKVNZTTYCXNQ-UHFFFAOYSA-N
Compound name
3-methoxy-5-(4-methylphenyl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.6
[M+Na]+ 224.07943 153.5
[M-H]- 200.08293 146.7
[M+NH4]+ 219.12403 158.8
[M+K]+ 240.05337 150.0
[M+H-H2O]+ 184.08747 134.3
[M+HCOO]- 246.08841 165.1
[M+CH3COO]- 260.10406 156.5
[M+Na-2H]- 222.06488 152.0
[M]+ 201.08966 145.3
[M]- 201.09076 145.3
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.