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]+ 205.11963 146.0
[M+Na]+ 227.10157 155.6
[M-H]- 203.10507 146.5
[M+NH4]+ 222.14617 159.6
[M+K]+ 243.07551 152.1
[M+H-H2O]+ 187.10961 135.8
[M+HCOO]- 249.11055 165.5
[M+CH3COO]- 263.12620 157.6
[M+Na-2H]- 225.08702 150.8
[M]+ 204.11180 145.2
[M]- 204.11290 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.