CID 5850

Pentolinium

Structural Information

Molecular Formula
C15H32N2
SMILES
C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C
InChI
InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
InChIKey
XSBSKEQEUFOSDD-UHFFFAOYSA-N
Compound name
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

518
References

1250
Patents

240.25655 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.26383 160.4
[M+Na]+ 263.24577 172.5
[M+NH4]+ 258.29037 173.7
[M+K]+ 279.21971 165.6
[M-H]- 239.24927 165.8
[M+Na-2H]- 261.23122 168.7
[M]+ 240.25600 164.5
[M]- 240.25710 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe