CID 3051526

1,2'-hexamethylenebis(2-methylpyrrolidine)

Structural Information

Molecular Formula
C16H32N2
SMILES
CC1CCCN1CCCCCCC2(CCCN2)C
InChI
InChI=1S/C16H32N2/c1-15-9-7-14-18(15)13-6-4-3-5-10-16(2)11-8-12-17-16/h15,17H,3-14H2,1-2H3
InChIKey
BQGIEBCHMXGLHN-UHFFFAOYSA-N
Compound name
2-methyl-1-[6-(2-methylpyrrolidin-2-yl)hexyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.25655 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.263826 167.4
[M+Na]+ 275.245768 170.3
[M-H]- 251.249274 168.3
[M+NH4]+ 270.290373 186.4
[M+K]+ 291.219708 166.6
[M+H-H2O]+ 235.253810 159.5
[M+HCOO]- 297.254751 182.8
[M+CH3COO]- 311.270401 193.2
[M+Na-2H]- 273.231216 165.1
[M]+ 252.25600142 162.8
[M]- 252.25709858 162.8
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.