CID 206232

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

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CCN(C1)CCN2C=NC=N2
InChI
InChI=1S/C8H14N4/c1-2-4-11(3-1)5-6-12-8-9-7-10-12/h7-8H,1-6H2
InChIKey
PGYXLTZSSAXNND-UHFFFAOYSA-N
Compound name
1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 137.2
[M+Na]+ 189.11106 147.6
[M+NH4]+ 184.15566 144.7
[M+K]+ 205.08500 145.3
[M-H]- 165.11456 137.8
[M+Na-2H]- 187.09651 143.2
[M]+ 166.12129 138.5
[M]- 166.12239 138.5
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.