CID 45091341

400839-23-8

Structural Information

Molecular Formula
C7H13N5O
SMILES
CCOC1=NC(=NC(=N1)N(C)C)N
InChI
InChI=1S/C7H13N5O/c1-4-13-7-10-5(8)9-6(11-7)12(2)3/h4H2,1-3H3,(H2,8,9,10,11)
InChIKey
IJYBSQSITJLFRT-UHFFFAOYSA-N
Compound name
6-ethoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.11201 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.119286 140.2
[M+Na]+ 206.101228 148.9
[M-H]- 182.104734 141.4
[M+NH4]+ 201.145833 156.4
[M+K]+ 222.075168 148.3
[M+H-H2O]+ 166.109270 131.6
[M+HCOO]- 228.110211 163.7
[M+CH3COO]- 242.125861 190.5
[M+Na-2H]- 204.086676 147.1
[M]+ 183.11146142 141.9
[M]- 183.11255858 141.9
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.