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

8262
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 115.5
[M+Na]+ 122.04372 124.8
[M-H]- 98.047224 113.8
[M+NH4]+ 117.08832 134.9
[M+K]+ 138.01766 122.8
[M+H-H2O]+ 82.051760 108.2
[M+HCOO]- 144.05270 138.5
[M+CH3COO]- 158.06835 165.6
[M+Na-2H]- 120.02917 122.5
[M]+ 99.053951 110.2
[M]- 99.055049 110.2
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