CID 47003211

4-(5-cyclopropyl-1h-1,2,4-triazol-3-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C10H16N4
SMILES
C1CC1C2=NNC(=N2)C3CCNCC3
InChI
InChI=1S/C10H16N4/c1-2-7(1)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKey
VUSGWKQMYKIPCN-UHFFFAOYSA-N
Compound name
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

192.1375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 148.1
[M+Na]+ 215.12672 160.2
[M+NH4]+ 210.17132 155.9
[M+K]+ 231.10066 157.3
[M-H]- 191.13022 156.6
[M+Na-2H]- 213.11217 156.3
[M]+ 192.13695 153.0
[M]- 192.13805 153.0
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