CID 119787

28008-01-7

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]+ 184.11929 139.0
[M+Na]+ 206.10123 149.3
[M+NH4]+ 201.14583 144.9
[M+K]+ 222.07517 145.6
[M-H]- 182.10473 139.3
[M+Na-2H]- 204.08668 143.9
[M]+ 183.11146 140.1
[M]- 183.11256 140.1
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.