CID 119787

S-triazine, 2-sec-butoxy-4,6-diamino-

Structural Information

Molecular Formula
C7H13N5O
SMILES
CCC(C)OC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H13N5O/c1-3-4(2)13-7-11-5(8)10-6(9)12-7/h4H,3H2,1-2H3,(H4,8,9,10,11,12)
InChIKey
DWHLCIUTVKHILE-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-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

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.119286 141.1
[M+Na]+ 206.101228 149.4
[M-H]- 182.104734 140.4
[M+NH4]+ 201.145833 156.3
[M+K]+ 222.075168 147.5
[M+H-H2O]+ 166.109270 132.8
[M+HCOO]- 228.110211 162.4
[M+CH3COO]- 242.125861 187.4
[M+Na-2H]- 204.086676 146.4
[M]+ 183.11146142 139.9
[M]- 183.11255858 139.9
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.