CID 3039954

51444-28-1

Structural Information

Molecular Formula
C8H16N4
SMILES
CCN(CC)CCN1C=NC=N1
InChI
InChI=1S/C8H16N4/c1-3-11(4-2)5-6-12-8-9-7-10-12/h7-8H,3-6H2,1-2H3
InChIKey
IDXUYTGVGZLSFF-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1,2,4-triazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14478 138.0
[M+Na]+ 191.12672 145.1
[M-H]- 167.13022 138.6
[M+NH4]+ 186.17132 156.6
[M+K]+ 207.10066 144.8
[M+H-H2O]+ 151.13476 129.1
[M+HCOO]- 213.13570 161.2
[M+CH3COO]- 227.15135 185.0
[M+Na-2H]- 189.11217 144.0
[M]+ 168.13695 140.4
[M]- 168.13805 140.4
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.