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]+ 140.09308 127.6
[M+Na]+ 162.07502 135.0
[M-H]- 138.07852 127.0
[M+NH4]+ 157.11962 145.9
[M+K]+ 178.04896 133.5
[M+H-H2O]+ 122.08306 119.2
[M+HCOO]- 184.08400 151.0
[M+CH3COO]- 198.09965 176.6
[M+Na-2H]- 160.06047 134.2
[M]+ 139.08525 124.5
[M]- 139.08635 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.