CID 206232

43180-83-2

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]+ 167.129116 136.4
[M+Na]+ 189.111058 143.2
[M-H]- 165.114564 137.2
[M+NH4]+ 184.155663 154.4
[M+K]+ 205.084998 141.9
[M+H-H2O]+ 149.119100 126.5
[M+HCOO]- 211.120041 156.0
[M+CH3COO]- 225.135691 148.4
[M+Na-2H]- 187.096506 139.7
[M]+ 166.12129142 134.1
[M]- 166.12238858 134.1
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.