CID 3039955

1-(2-piperidinoethyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C9H16N4
SMILES
C1CCN(CC1)CCN2C=NC=N2
InChI
InChI=1S/C9H16N4/c1-2-4-12(5-3-1)6-7-13-9-10-8-11-13/h8-9H,1-7H2
InChIKey
ADTVDDSTSYXXPE-UHFFFAOYSA-N
Compound name
1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 141.6
[M+Na]+ 203.12672 147.1
[M-H]- 179.13022 141.6
[M+NH4]+ 198.17132 157.2
[M+K]+ 219.10066 144.9
[M+H-H2O]+ 163.13476 131.2
[M+HCOO]- 225.13570 158.6
[M+CH3COO]- 239.15135 152.3
[M+Na-2H]- 201.11217 146.2
[M]+ 180.13695 137.3
[M]- 180.13805 137.3
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.