CID 15466

2-amino-4-methoxy-6-methyl-1,3,5-triazine

Structural Information

Molecular Formula
C5H8N4O
SMILES
CC1=NC(=NC(=N1)OC)N
InChI
InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChIKey
NXFQWRWXEYTOTK-UHFFFAOYSA-N
Compound name
4-methoxy-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

636
Patents

140.06981 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.077086 127.6
[M+Na]+ 163.059028 137.9
[M-H]- 139.062534 127.5
[M+NH4]+ 158.103633 145.2
[M+K]+ 179.032968 136.4
[M+H-H2O]+ 123.067070 120.0
[M+HCOO]- 185.068011 150.1
[M+CH3COO]- 199.083661 176.0
[M+Na-2H]- 161.044476 135.8
[M]+ 140.06926142 128.0
[M]- 140.07035858 128.0
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