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]+ 156.124376 132.9
[M+Na]+ 178.106318 141.0
[M-H]- 154.109824 133.9
[M+NH4]+ 173.150923 151.8
[M+K]+ 194.080258 140.7
[M+H-H2O]+ 138.114360 124.4
[M+HCOO]- 200.115301 157.3
[M+CH3COO]- 214.130951 184.3
[M+Na-2H]- 176.091766 138.7
[M]+ 155.11655142 133.2
[M]- 155.11764858 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.