CID 589729

1',3'-dihydrospiro[cyclohexane-1,2'-[2h]imidazo[4,5-b]pyridine]

Structural Information

Molecular Formula
C11H15N3
SMILES
C1CCC2(CC1)NC3=C(N2)N=CC=C3
InChI
InChI=1S/C11H15N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8,13H,1-3,6-7H2,(H,12,14)
InChIKey
OUKQLJBANRHVIM-UHFFFAOYSA-N
Compound name
spiro[1,3-dihydroimidazo[4,5-b]pyridine-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

189.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 143.8
[M+Na]+ 212.11582 150.0
[M-H]- 188.11932 142.8
[M+NH4]+ 207.16042 162.6
[M+K]+ 228.08976 144.8
[M+H-H2O]+ 172.12386 135.2
[M+HCOO]- 234.12480 157.1
[M+CH3COO]- 248.14045 153.9
[M+Na-2H]- 210.10127 150.0
[M]+ 189.12605 134.6
[M]- 189.12715 134.6
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