CID 90860

22966-88-7

Structural Information

Molecular Formula
C18H31N2
SMILES
CC1CCCN(C1)C=CC=C(C)C=[N+]2CCCC(C2)C
InChI
InChI=1S/C18H31N2/c1-16-7-4-10-19(13-16)11-5-8-17(2)14-20-12-6-9-18(3)15-20/h5,8,11,14,16,18H,4,6-7,9-10,12-13,15H2,1-3H3/q+1
InChIKey
JDICBXASFLSSNJ-UHFFFAOYSA-N
Compound name
3-methyl-1-[4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.24872 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.25600 175.0
[M+Na]+ 298.23794 176.3
[M-H]- 274.24144 176.6
[M+NH4]+ 293.28254 187.8
[M+K]+ 314.21188 165.8
[M+H-H2O]+ 258.24598 168.4
[M+HCOO]- 320.24692 185.9
[M+CH3COO]- 334.26257 193.2
[M+Na-2H]- 296.22339 174.4
[M]+ 275.24817 164.4
[M]- 275.24927 164.4
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.