CID 3022907

93918-93-5

Structural Information

Molecular Formula
C19H36N2O
SMILES
C1CCN(C1)CCCCCCCCCCC(=O)N2CCCC2
InChI
InChI=1S/C19H36N2O/c22-19(21-17-11-12-18-21)13-7-5-3-1-2-4-6-8-14-20-15-9-10-16-20/h1-18H2
InChIKey
OSBBKIWWPCSOKN-UHFFFAOYSA-N
Compound name
1,11-dipyrrolidin-1-ylundecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.28278 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.290056 184.8
[M+Na]+ 331.271998 184.7
[M-H]- 307.275504 185.8
[M+NH4]+ 326.316603 199.5
[M+K]+ 347.245938 181.5
[M+H-H2O]+ 291.280040 174.9
[M+HCOO]- 353.280981 199.8
[M+CH3COO]- 367.296631 205.3
[M+Na-2H]- 329.257446 179.5
[M]+ 308.28223142 182.3
[M]- 308.28332858 182.3
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.