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]+ 169.144776 138.0
[M+Na]+ 191.126718 145.1
[M-H]- 167.130224 138.6
[M+NH4]+ 186.171323 156.6
[M+K]+ 207.100658 144.8
[M+H-H2O]+ 151.134760 129.1
[M+HCOO]- 213.135701 161.2
[M+CH3COO]- 227.151351 185.0
[M+Na-2H]- 189.112166 144.0
[M]+ 168.13695142 140.4
[M]- 168.13804858 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.