CID 6446697

63886-45-3

Structural Information

Molecular Formula
C17H29N2
SMILES
CC1CCC(N1/C=C/C=C/C=[N+]2C(CCC2C)C)C
InChI
InChI=1S/C17H29N2/c1-14-8-9-15(2)18(14)12-6-5-7-13-19-16(3)10-11-17(19)4/h5-7,12-17H,8-11H2,1-4H3/q+1
InChIKey
PNXPPFDTBVOWLZ-UHFFFAOYSA-N
Compound name
1-[(1E,3E)-5-(2,5-dimethylpyrrolidin-1-ium-1-ylidene)penta-1,3-dienyl]-2,5-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.23306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.24034 171.0
[M+Na]+ 284.22228 176.8
[M-H]- 260.22578 174.5
[M+NH4]+ 279.26688 189.0
[M+K]+ 300.19622 166.4
[M+H-H2O]+ 244.23032 166.2
[M+HCOO]- 306.23126 187.8
[M+CH3COO]- 320.24691 191.3
[M+Na-2H]- 282.20773 168.1
[M]+ 261.23251 165.9
[M]- 261.23361 165.9
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.