CID 135613039

4h-1,2,4-triazole-3-carboximidamide hydrochloride

Structural Information

Molecular Formula
C3H5N5
SMILES
C1=NNC(=N1)C(=N)N
InChI
InChI=1S/C3H5N5/c4-2(5)3-6-1-7-8-3/h1H,(H3,4,5)(H,6,7,8)
InChIKey
VTHXSCUQGYRQPX-UHFFFAOYSA-N
Compound name
1H-1,2,4-triazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

111.0545 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.06178 119.4
[M+Na]+ 134.04372 127.2
[M-H]- 110.04722 117.7
[M+NH4]+ 129.08832 138.1
[M+K]+ 150.01766 125.3
[M+H-H2O]+ 94.051760 111.6
[M+HCOO]- 156.05270 141.9
[M+CH3COO]- 170.06835 168.1
[M+Na-2H]- 132.02917 126.4
[M]+ 111.05395 113.7
[M]- 111.05505 113.7
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