CID 22557716

4-(2,5-dimethyl-1h-pyrrol-1-yl)piperidine

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

4
Patents

178.147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 142.3
[M+Na]+ 201.136218 148.5
[M-H]- 177.139724 144.4
[M+NH4]+ 196.180823 160.8
[M+K]+ 217.110158 145.1
[M+H-H2O]+ 161.144260 134.6
[M+HCOO]- 223.145201 160.0
[M+CH3COO]- 237.160851 179.0
[M+Na-2H]- 199.121666 144.3
[M]+ 178.14645142 136.7
[M]- 178.14754858 136.7
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