CID 834609

Benzimidazole, 2-(piperidinomethyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCN(CC1)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H17N3/c1-4-8-16(9-5-1)10-13-14-11-6-2-3-7-12(11)15-13/h2-3,6-7H,1,4-5,8-10H2,(H,14,15)
InChIKey
VBHJBDZRUQCCBW-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

215.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 148.7
[M+Na]+ 238.131458 155.6
[M-H]- 214.134964 150.3
[M+NH4]+ 233.176063 165.0
[M+K]+ 254.105398 150.3
[M+H-H2O]+ 198.139500 139.4
[M+HCOO]- 260.140441 165.7
[M+CH3COO]- 274.156091 159.5
[M+Na-2H]- 236.116906 154.2
[M]+ 215.14169142 144.2
[M]- 215.14278858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe