CID 12397494

18096-45-2

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CCC2(CC1)C3=C(CCN2)NC=N3

InChI

InChI=1S/C11H17N3/c1-2-5-11(6-3-1)10-9(4-7-14-11)12-8-13-10/h8,14H,1-7H2,(H,12,13)

InChIKey

XKIAHMSAUTZOBQ-UHFFFAOYSA-N

Compound name

spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclohexane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.14224 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.149516	145.7
[M+Na]+	214.131458	150.8
[M-H]-	190.134964	144.3
[M+NH4]+	209.176063	164.3
[M+K]+	230.105398	145.8
[M+H-H2O]+	174.139500	137.0
[M+HCOO]-	236.140441	157.5
[M+CH3COO]-	250.156091	155.2
[M+Na-2H]-	212.116906	150.7
[M]+	191.14169142	135.0
[M]-	191.14278858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.