CID 90854

22966-83-2

Structural Information

Molecular Formula
C14H23N2
SMILES
CC(=CC=CN1CCCC1)C=[N+]2CCCC2
InChI
InChI=1S/C14H23N2/c1-14(13-16-10-4-5-11-16)7-6-12-15-8-2-3-9-15/h6-7,12-13H,2-5,8-11H2,1H3/q+1
InChIKey
CZIOYMMEEWKIQP-UHFFFAOYSA-N
Compound name
1-(4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.18613 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.193406 160.4
[M+Na]+ 242.175348 163.4
[M-H]- 218.178854 162.9
[M+NH4]+ 237.219953 178.6
[M+K]+ 258.149288 154.5
[M+H-H2O]+ 202.183390 154.5
[M+HCOO]- 264.184331 177.1
[M+CH3COO]- 278.199981 178.7
[M+Na-2H]- 240.160796 160.1
[M]+ 219.18558142 152.0
[M]- 219.18667858 152.0
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.