CID 28064106

2-(4-ethyl-4h-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H12N4
SMILES
CCN1C=NN=C1CCN
InChI
InChI=1S/C6H12N4/c1-2-10-5-8-9-6(10)3-4-7/h5H,2-4,7H2,1H3
InChIKey
DWLZOAQNIPAAFO-UHFFFAOYSA-N
Compound name
2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1062 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 129.4
[M+Na]+ 163.095418 138.2
[M-H]- 139.098924 128.7
[M+NH4]+ 158.140023 148.5
[M+K]+ 179.069358 136.6
[M+H-H2O]+ 123.103460 121.5
[M+HCOO]- 185.104401 152.1
[M+CH3COO]- 199.120051 175.9
[M+Na-2H]- 161.080866 135.3
[M]+ 140.10565142 129.1
[M]- 140.10674858 129.1
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.