CID 243117

6637-08-7

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 159.8
[M+Na]+ 267.18317 173.2
[M+NH4]+ 262.22777 167.9
[M+K]+ 283.15711 168.8
[M-H]- 243.18667 162.7
[M+Na-2H]- 265.16862 166.3
[M]+ 244.19340 162.6
[M]- 244.19450 162.6
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

No patent data available for this compound.