CID 107447516

1702669-99-5

Structural Information

Molecular Formula
C7H8N6
SMILES
C1=CN=C(N=C1)N2C(=NC=N2)CN
InChI
InChI=1S/C7H8N6/c8-4-6-11-5-12-13(6)7-9-2-1-3-10-7/h1-3,5H,4,8H2
InChIKey
JXCGKOAEQOHFMV-UHFFFAOYSA-N
Compound name
(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08104 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08832 135.9
[M+Na]+ 199.07026 145.8
[M-H]- 175.07376 136.1
[M+NH4]+ 194.11486 150.3
[M+K]+ 215.04420 142.3
[M+H-H2O]+ 159.07830 125.7
[M+HCOO]- 221.07924 157.0
[M+CH3COO]- 235.09489 148.1
[M+Na-2H]- 197.05571 143.7
[M]+ 176.08049 134.6
[M]- 176.08159 134.6
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.