CID 53213655

955158-71-1

Structural Information

Molecular Formula
C12H16N4
SMILES
CC1=NC2=C(N1C3CCNCC3)N=CC=C2
InChI
InChI=1S/C12H16N4/c1-9-15-11-3-2-6-14-12(11)16(9)10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKey
JNVZBCAOLXXHSB-UHFFFAOYSA-N
Compound name
2-methyl-3-piperidin-4-ylimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.1375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.144776 150.0
[M+Na]+ 239.126718 158.4
[M-H]- 215.130224 150.7
[M+NH4]+ 234.171323 165.1
[M+K]+ 255.100658 153.0
[M+H-H2O]+ 199.134760 140.2
[M+HCOO]- 261.135701 165.9
[M+CH3COO]- 275.151351 160.8
[M+Na-2H]- 237.112166 155.0
[M]+ 216.13695142 146.1
[M]- 216.13804858 146.1
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

patents stripe