CID 146479

19213-19-5

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCN(CC1)CN2C=NC3=CC=CC=C32
InChI
InChI=1S/C13H17N3/c1-4-8-15(9-5-1)11-16-10-14-12-6-2-3-7-13(12)16/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKey
LUNWKJHAANLIKU-UHFFFAOYSA-N
Compound name
1-(piperidin-1-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

215.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 148.5
[M+Na]+ 238.13146 155.8
[M-H]- 214.13496 151.4
[M+NH4]+ 233.17606 165.5
[M+K]+ 254.10540 151.4
[M+H-H2O]+ 198.13950 138.8
[M+HCOO]- 260.14044 166.9
[M+CH3COO]- 274.15609 160.0
[M+Na-2H]- 236.11691 154.3
[M]+ 215.14169 145.8
[M]- 215.14279 145.8
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