CID 19005989

3-(1h-1,2,4-triazol-1-yl)piperidine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC(CNC1)N2C=NC=N2
InChI
InChI=1S/C7H12N4/c1-2-7(4-8-3-1)11-6-9-5-10-11/h5-8H,1-4H2
InChIKey
BXSGLNRNBMUCIM-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.5
[M+Na]+ 175.09542 139.5
[M-H]- 151.09892 132.5
[M+NH4]+ 170.14002 149.5
[M+K]+ 191.06936 136.9
[M+H-H2O]+ 135.10346 123.8
[M+HCOO]- 197.10440 149.7
[M+CH3COO]- 211.12005 144.4
[M+Na-2H]- 173.08087 138.7
[M]+ 152.10565 126.7
[M]- 152.10675 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe