CID 185719

2-n-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C8H15N5O
SMILES
CC(C)(C)NC1=NC(=NC(=N1)N)OC
InChI
InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
InChIKey
HSYISQLUXXBNFW-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

197.12766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13494 146.7
[M+Na]+ 220.11688 155.3
[M-H]- 196.12038 146.6
[M+NH4]+ 215.16148 161.8
[M+K]+ 236.09082 153.5
[M+H-H2O]+ 180.12492 138.8
[M+HCOO]- 242.12586 167.7
[M+CH3COO]- 256.14151 189.8
[M+Na-2H]- 218.10233 154.4
[M]+ 197.12711 146.8
[M]- 197.12821 146.8
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