CID 3035842

Immepip

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

C1CNCCC1CC2=CN=CN2

InChI

InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)

InChIKey

MCNGUYXRBCIGOV-UHFFFAOYSA-N

Compound name

4-(1H-imidazol-5-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 97
References: 349
Patents: 165.1266 Da
Monoisotopic Mass: 0.7
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]+	166.133876	138.2
[M+Na]+	188.115818	142.9
[M-H]-	164.119324	137.0
[M+NH4]+	183.160423	154.4
[M+K]+	204.089758	139.1
[M+H-H2O]+	148.123860	129.4
[M+HCOO]-	210.124801	153.6
[M+CH3COO]-	224.140451	148.4
[M+Na-2H]-	186.101266	142.1
[M]+	165.12605142	129.8
[M]-	165.12714858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe