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 136.4
[M+Na]+ 189.11106 143.2
[M-H]- 165.11456 137.2
[M+NH4]+ 184.15566 154.4
[M+K]+ 205.08500 141.9
[M+H-H2O]+ 149.11910 126.5
[M+HCOO]- 211.12004 156.0
[M+CH3COO]- 225.13569 148.4
[M+Na-2H]- 187.09651 139.7
[M]+ 166.12129 134.1
[M]- 166.12239 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.