CID 62679999

1-(pyrimidin-2-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C6H6N6
SMILES
C1=CN=C(N=C1)N2C(=NC=N2)N
InChI
InChI=1S/C6H6N6/c7-5-10-4-11-12(5)6-8-2-1-3-9-6/h1-4H,(H2,7,10,11)
InChIKey
AYNOTZBOYPKSQF-UHFFFAOYSA-N
Compound name
2-pyrimidin-2-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

162.0654 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.072676 131.6
[M+Na]+ 185.054618 141.9
[M-H]- 161.058124 132.0
[M+NH4]+ 180.099223 146.6
[M+K]+ 201.028558 138.6
[M+H-H2O]+ 145.062660 121.5
[M+HCOO]- 207.063601 153.0
[M+CH3COO]- 221.079251 144.3
[M+Na-2H]- 183.040066 139.9
[M]+ 162.06485142 129.9
[M]- 162.06594858 129.9
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

patents stripe