CID 15078

Guanazole

Structural Information

Molecular Formula
C2H5N5
SMILES
C1(=NC(=NN1)N)N
InChI
InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
InChIKey
PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Compound name
1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

60
References

7054
Patents

99.0545 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.06178 114.5
[M+Na]+ 122.04372 123.7
[M+NH4]+ 117.08832 121.2
[M+K]+ 138.01766 122.3
[M-H]- 98.047224 114.1
[M+Na-2H]- 120.02917 119.4
[M]+ 99.053951 115.1
[M]- 99.055049 115.1
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