CID 3048217

63886-23-7

Structural Information

Molecular Formula
C14H30N2
SMILES
C[N+]1(CCCC1)CCCC[N+]2(CCCC2)C
InChI
InChI=1S/C14H30N2/c1-15(9-3-4-10-15)13-7-8-14-16(2)11-5-6-12-16/h3-14H2,1-2H3/q+2
InChIKey
BOBPMDMJXJMYRQ-UHFFFAOYSA-N
Compound name
1-methyl-1-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

226.2409 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.24818 156.0
[M+Na]+ 249.23012 159.7
[M-H]- 225.23362 159.0
[M+NH4]+ 244.27472 177.8
[M+K]+ 265.20406 146.9
[M+H-H2O]+ 209.23816 153.8
[M+HCOO]- 271.23910 172.4
[M+CH3COO]- 285.25475 177.3
[M+Na-2H]- 247.21557 161.6
[M]+ 226.24035 149.0
[M]- 226.24145 149.0
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