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]+ 181.144776 142.8
[M+Na]+ 203.126718 148.9
[M-H]- 179.130224 141.9
[M+NH4]+ 198.171323 158.0
[M+K]+ 219.100658 145.7
[M+H-H2O]+ 163.134760 133.1
[M+HCOO]- 225.135701 158.3
[M+CH3COO]- 239.151351 153.2
[M+Na-2H]- 201.112166 146.2
[M]+ 180.13695142 137.1
[M]- 180.13804858 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.