CID 79605567

2126176-91-6

Structural Information

Molecular Formula
C9H16N4
SMILES
CN1C=NN=C1CC2CCNCC2
InChI
InChI=1S/C9H16N4/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKey
QGMPFYPCBHTCDE-UHFFFAOYSA-N
Compound name
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

180.1375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 142.8
[M+Na]+ 203.12672 148.9
[M-H]- 179.13022 141.9
[M+NH4]+ 198.17132 158.0
[M+K]+ 219.10066 145.7
[M+H-H2O]+ 163.13476 133.1
[M+HCOO]- 225.13570 158.3
[M+CH3COO]- 239.15135 153.2
[M+Na-2H]- 201.11217 146.2
[M]+ 180.13695 137.1
[M]- 180.13805 137.1
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

No patent data available for this compound.