CID 3048568

63916-21-2

Structural Information

Molecular Formula
C15H32N2
SMILES
C[N+]1(CCCCC1)CCC[N+]2(CCCCC2)C
InChI
InChI=1S/C15H32N2/c1-16(10-5-3-6-11-16)14-9-15-17(2)12-7-4-8-13-17/h3-15H2,1-2H3/q+2
InChIKey
DOHRDKZACXEGEP-UHFFFAOYSA-N
Compound name
1-methyl-1-[3-(1-methylpiperidin-1-ium-1-yl)propyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 160.9
[M+Na]+ 263.24577 162.3
[M-H]- 239.24927 162.9
[M+NH4]+ 258.29037 178.5
[M+K]+ 279.21971 149.2
[M+H-H2O]+ 223.25381 157.7
[M+HCOO]- 285.25475 172.6
[M+CH3COO]- 299.27040 180.3
[M+Na-2H]- 261.23122 168.4
[M]+ 240.25600 150.1
[M]- 240.25710 150.1
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