CID 243117

1,1'-(1,4-tetramethylene)bis(2,5-dimethylpyrrole)

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=CC=C(N1CCCCN2C(=CC=C2C)C)C
InChI
InChI=1S/C16H24N2/c1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4/h7-10H,5-6,11-12H2,1-4H3
InChIKey
OFTHAYNMJIBXNA-UHFFFAOYSA-N
Compound name
1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 158.5
[M+Na]+ 267.18317 168.9
[M-H]- 243.18667 163.7
[M+NH4]+ 262.22777 178.0
[M+K]+ 283.15711 164.7
[M+H-H2O]+ 227.19121 151.0
[M+HCOO]- 289.19215 182.6
[M+CH3COO]- 303.20780 197.9
[M+Na-2H]- 265.16862 158.5
[M]+ 244.19340 164.0
[M]- 244.19450 164.0
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

No patent data available for this compound.