CID 45786744

933734-78-2

Structural Information

Molecular Formula
C12H16N4
SMILES
C1CC(CN(C1)C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C12H16N4/c13-9-4-3-7-16(8-9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKey
RCLYMORVSRZNHW-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 147.8
[M+Na]+ 239.12672 155.3
[M-H]- 215.13022 149.5
[M+NH4]+ 234.17132 163.8
[M+K]+ 255.10066 149.8
[M+H-H2O]+ 199.13476 138.8
[M+HCOO]- 261.13570 165.6
[M+CH3COO]- 275.15135 158.7
[M+Na-2H]- 237.11217 152.9
[M]+ 216.13695 141.9
[M]- 216.13805 141.9
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.