CID 47003130

1-(piperidin-4-yl)-4,5,6,7-tetrahydro-1h-1,2,3-benzotriazole dihydrochloride

Structural Information

Molecular Formula
C11H18N4
SMILES
C1CCC2=C(C1)N=NN2C3CCNCC3
InChI
InChI=1S/C11H18N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h9,12H,1-8H2
InChIKey
LEYIPUSIQDUURG-UHFFFAOYSA-N
Compound name
1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15315 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 149.6
[M+Na]+ 229.14237 154.3
[M-H]- 205.14587 148.9
[M+NH4]+ 224.18697 164.4
[M+K]+ 245.11631 150.0
[M+H-H2O]+ 189.15041 139.3
[M+HCOO]- 251.15135 161.4
[M+CH3COO]- 265.16700 158.7
[M+Na-2H]- 227.12782 152.7
[M]+ 206.15260 140.6
[M]- 206.15370 140.6
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.