CID 24710079

3-(1h-1,2,4-triazol-1-yl)propanimidamide dihydrochloride

Structural Information

Molecular Formula
C5H9N5
SMILES
C1=NN(C=N1)CCC(=N)N
InChI
InChI=1S/C5H9N5/c6-5(7)1-2-10-4-8-3-9-10/h3-4H,1-2H2,(H3,6,7)
InChIKey
KAULSDGRVVSEKF-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.0858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 127.6
[M+Na]+ 162.075018 135.0
[M-H]- 138.078524 127.0
[M+NH4]+ 157.119623 145.9
[M+K]+ 178.048958 133.5
[M+H-H2O]+ 122.083060 119.2
[M+HCOO]- 184.084001 151.0
[M+CH3COO]- 198.099651 176.6
[M+Na-2H]- 160.060466 134.2
[M]+ 139.08525142 124.5
[M]- 139.08634858 124.5
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.