CID 16227574

923164-14-1

Structural Information

Molecular Formula
C12H20N4
SMILES
C1CCC2=NN=C(N2CC1)C3CCCNC3
InChI
InChI=1S/C12H20N4/c1-2-6-11-14-15-12(16(11)8-3-1)10-5-4-7-13-9-10/h10,13H,1-9H2
InChIKey
RMOJOJDSSOTAMN-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 151.7
[M+Na]+ 243.158018 155.2
[M-H]- 219.161524 152.4
[M+NH4]+ 238.202623 165.1
[M+K]+ 259.131958 153.9
[M+H-H2O]+ 203.166060 140.2
[M+HCOO]- 265.167001 163.1
[M+CH3COO]- 279.182651 160.1
[M+Na-2H]- 241.143466 154.0
[M]+ 220.16825142 140.5
[M]- 220.16934858 140.5
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

No patent data available for this compound.