CID 44721353

795310-52-0

Structural Information

Molecular Formula
C9H16N4
SMILES
CC1=NN=C(N1C2CCNCC2)C
InChI
InChI=1S/C9H16N4/c1-7-11-12-8(2)13(7)9-3-5-10-6-4-9/h9-10H,3-6H2,1-2H3
InChIKey
XBPPPXAGUDHXJQ-UHFFFAOYSA-N
Compound name
4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

180.1375 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 143.3
[M+Na]+ 203.126718 150.5
[M-H]- 179.130224 142.8
[M+NH4]+ 198.171323 158.9
[M+K]+ 219.100658 147.1
[M+H-H2O]+ 163.134760 134.0
[M+HCOO]- 225.135701 158.8
[M+CH3COO]- 239.151351 154.1
[M+Na-2H]- 201.112166 145.9
[M]+ 180.13695142 138.0
[M]- 180.13804858 138.0
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