CID 210237

Pyrrolidine, 1,1'-hexamethylenedi-

Structural Information

Molecular Formula
C14H28N2
SMILES
C1CCN(C1)CCCCCCN2CCCC2
InChI
InChI=1S/C14H28N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h1-14H2
InChIKey
SRUXFFIVHYSOBQ-UHFFFAOYSA-N
Compound name
1-(6-pyrrolidin-1-ylhexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.22525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.23253 159.7
[M+Na]+ 247.21447 161.8
[M-H]- 223.21797 161.5
[M+NH4]+ 242.25907 178.0
[M+K]+ 263.18841 159.5
[M+H-H2O]+ 207.22251 150.6
[M+HCOO]- 269.22345 177.1
[M+CH3COO]- 283.23910 189.3
[M+Na-2H]- 245.19992 158.1
[M]+ 224.22470 155.5
[M]- 224.22580 155.5
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