CID 55279423

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

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CNCCC1C2=NNN=C2
InChI
InChI=1S/C7H12N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKey
LGIWBPLJDKOQSX-UHFFFAOYSA-N
Compound name
4-(2H-triazol-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

152.1062 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 134.1
[M+Na]+ 175.09542 144.6
[M+NH4]+ 170.14002 141.2
[M+K]+ 191.06936 141.0
[M-H]- 151.09892 134.3
[M+Na-2H]- 173.08087 139.9
[M]+ 152.10565 135.2
[M]- 152.10675 135.2
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

patents stripe