CID 77943

N2-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C5H10N6O
SMILES
COCNC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H10N6O/c1-12-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H5,6,7,8,9,10,11)
InChIKey
KFVIYKFKUYBKTP-UHFFFAOYSA-N
Compound name
2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2791
Patents

170.09161 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09889 134.4
[M+Na]+ 193.08083 143.0
[M-H]- 169.08433 134.0
[M+NH4]+ 188.12543 149.8
[M+K]+ 209.05477 141.1
[M+H-H2O]+ 153.08887 126.0
[M+HCOO]- 215.08981 158.5
[M+CH3COO]- 229.10546 185.7
[M+Na-2H]- 191.06628 142.6
[M]+ 170.09106 132.5
[M]- 170.09216 132.5
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