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
5
Annotation Hits

518
References

1316
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 163.7
[M-H]- 239.24927 163.3
[M+NH4]+ 258.29037 181.7
[M+K]+ 279.21971 150.7
[M+H-H2O]+ 223.25381 158.1
[M+HCOO]- 285.25475 176.5
[M+CH3COO]- 299.27040 180.2
[M+Na-2H]- 261.23122 165.5
[M]+ 240.25600 153.8
[M]- 240.25710 153.8
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