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]+ 217.144776 147.8
[M+Na]+ 239.126718 155.3
[M-H]- 215.130224 149.5
[M+NH4]+ 234.171323 163.8
[M+K]+ 255.100658 149.8
[M+H-H2O]+ 199.134760 138.8
[M+HCOO]- 261.135701 165.6
[M+CH3COO]- 275.151351 158.7
[M+Na-2H]- 237.112166 152.9
[M]+ 216.13695142 141.9
[M]- 216.13804858 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.