CID 445106

1h-1,2,4-triazole-1-carboximidamide

Structural Information

Molecular Formula
C3H5N5
SMILES
C1=NN(C=N1)C(=N)N
InChI
InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)
InChIKey
CDIOIIJXUJXYPB-UHFFFAOYSA-N
Compound name
1,2,4-triazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

391
Patents

111.0545 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.06178 119.1
[M+Na]+ 134.04372 127.4
[M-H]- 110.04722 118.8
[M+NH4]+ 129.08832 138.6
[M+K]+ 150.01766 126.4
[M+H-H2O]+ 94.051760 111.1
[M+HCOO]- 156.05270 143.1
[M+CH3COO]- 170.06835 169.9
[M+Na-2H]- 132.02917 126.6
[M]+ 111.05395 115.2
[M]- 111.05505 115.2
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