CID 693795

6-ethoxy-n2-methyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C6H11N5O
SMILES
CCOC1=NC(=NC(=N1)NC)N
InChI
InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)
InChIKey
HEMSJLNVJJUYEU-UHFFFAOYSA-N
Compound name
6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

39
Patents

169.09636 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10364 135.8
[M+Na]+ 192.08558 144.7
[M-H]- 168.08908 135.6
[M+NH4]+ 187.13018 151.8
[M+K]+ 208.05952 142.9
[M+H-H2O]+ 152.09362 127.5
[M+HCOO]- 214.09456 159.0
[M+CH3COO]- 228.11021 184.0
[M+Na-2H]- 190.07103 143.9
[M]+ 169.09581 135.8
[M]- 169.09691 135.8
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