CID 84062426

1782371-50-9

Structural Information

Molecular Formula
C9H12N6
SMILES
CC(C)C1=CC(=NC(=N1)N)N2C=NC=N2
InChI
InChI=1S/C9H12N6/c1-6(2)7-3-8(14-9(10)13-7)15-5-11-4-12-15/h3-6H,1-2H3,(H2,10,13,14)
InChIKey
NCNSLQJHWOCDEC-UHFFFAOYSA-N
Compound name
4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 146.0
[M+Na]+ 227.101568 155.6
[M-H]- 203.105074 146.5
[M+NH4]+ 222.146173 159.6
[M+K]+ 243.075508 152.1
[M+H-H2O]+ 187.109610 135.8
[M+HCOO]- 249.110551 165.5
[M+CH3COO]- 263.126201 157.6
[M+Na-2H]- 225.087016 150.8
[M]+ 204.11180142 145.2
[M]- 204.11289858 145.2
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.