CID 22557716

1032289-55-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC1=CC=C(N1C2CCNCC2)C

InChI

InChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-4,11-12H,5-8H2,1-2H3

InChIKey

LFUQYNQNHALJCO-UHFFFAOYSA-N

Compound name

4-(2,5-dimethylpyrrol-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 178.147 Da
Monoisotopic Mass: 1.5
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]+	179.15428	142.3
[M+Na]+	201.13622	148.5
[M-H]-	177.13972	144.4
[M+NH4]+	196.18082	160.8
[M+K]+	217.11016	145.1
[M+H-H2O]+	161.14426	134.6
[M+HCOO]-	223.14520	160.0
[M+CH3COO]-	237.16085	179.0
[M+Na-2H]-	199.12167	144.3
[M]+	178.14645	136.7
[M]-	178.14755	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe