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]+ 220.19341 160.4
[M+Na]+ 242.17535 163.4
[M-H]- 218.17885 162.9
[M+NH4]+ 237.21995 178.6
[M+K]+ 258.14929 154.5
[M+H-H2O]+ 202.18339 154.5
[M+HCOO]- 264.18433 177.1
[M+CH3COO]- 278.19998 178.7
[M+Na-2H]- 240.16080 160.1
[M]+ 219.18558 152.0
[M]- 219.18668 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.