CID 2771112

4875-43-8

Structural Information

Molecular Formula
C13H15N3
SMILES
CC1=CC=C(C=C1)C2C3=C(CCN2)NC=N3
InChI
InChI=1S/C13H15N3/c1-9-2-4-10(5-3-9)12-13-11(6-7-14-12)15-8-16-13/h2-5,8,12,14H,6-7H2,1H3,(H,15,16)
InChIKey
SVKCSYVDFSFJPN-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 149.3
[M+Na]+ 236.11582 156.8
[M-H]- 212.11932 150.0
[M+NH4]+ 231.16042 165.2
[M+K]+ 252.08976 150.6
[M+H-H2O]+ 196.12386 140.6
[M+HCOO]- 258.12480 164.8
[M+CH3COO]- 272.14045 159.9
[M+Na-2H]- 234.10127 153.6
[M]+ 213.12605 143.4
[M]- 213.12715 143.4
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

No patent data available for this compound.