CID 5475351

1-(5-pyrrolidino-2,4-pentadienylidene)pyrrolidinium perchlorate

Structural Information

Molecular Formula
C13H21N2
SMILES
C1CCN(C1)/C=C/C=C/C=[N+]2CCCC2
InChI
InChI=1S/C13H21N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h1-3,8-9H,4-7,10-13H2/q+1
InChIKey
MMTNBXZFJBWNAY-UHFFFAOYSA-N
Compound name
1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.17047 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.17775 155.5
[M+Na]+ 228.15969 159.1
[M-H]- 204.16319 158.0
[M+NH4]+ 223.20429 174.3
[M+K]+ 244.13363 150.1
[M+H-H2O]+ 188.16773 149.6
[M+HCOO]- 250.16867 173.5
[M+CH3COO]- 264.18432 175.1
[M+Na-2H]- 226.14514 156.8
[M]+ 205.16992 147.3
[M]- 205.17102 147.3
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