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]+ 181.144776 141.6
[M+Na]+ 203.126718 147.1
[M-H]- 179.130224 141.6
[M+NH4]+ 198.171323 157.2
[M+K]+ 219.100658 144.9
[M+H-H2O]+ 163.134760 131.2
[M+HCOO]- 225.135701 158.6
[M+CH3COO]- 239.151351 152.3
[M+Na-2H]- 201.112166 146.2
[M]+ 180.13695142 137.3
[M]- 180.13804858 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.