CID 60910687

1-[2-(dimethylamino)ethyl]-1h-1,2,4-triazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C6H13N5
SMILES
CN(C)CCN1C=NC(=N1)N
InChI
InChI=1S/C6H13N5/c1-10(2)3-4-11-5-8-6(7)9-11/h5H,3-4H2,1-2H3,(H2,7,9)
InChIKey
OMUDAIGOKVMWNC-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.1171 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.12438 132.9
[M+Na]+ 178.10632 141.0
[M-H]- 154.10982 133.9
[M+NH4]+ 173.15092 151.8
[M+K]+ 194.08026 140.7
[M+H-H2O]+ 138.11436 124.4
[M+HCOO]- 200.11530 157.3
[M+CH3COO]- 214.13095 184.3
[M+Na-2H]- 176.09177 138.7
[M]+ 155.11655 133.2
[M]- 155.11765 133.2
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.