CID 1812104

1,6-bis(1-pyrrolidinyl)-1,6-hexanedione

Structural Information

Molecular Formula
C14H24N2O2
SMILES
C1CCN(C1)C(=O)CCCCC(=O)N2CCCC2
InChI
InChI=1S/C14H24N2O2/c17-13(15-9-3-4-10-15)7-1-2-8-14(18)16-11-5-6-12-16/h1-12H2
InChIKey
GPNRLGPZAGYGPG-UHFFFAOYSA-N
Compound name
1,6-dipyrrolidin-1-ylhexane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 165.4
[M+Na]+ 275.17300 167.5
[M-H]- 251.17650 167.6
[M+NH4]+ 270.21760 182.3
[M+K]+ 291.14694 166.0
[M+H-H2O]+ 235.18104 156.7
[M+HCOO]- 297.18198 181.6
[M+CH3COO]- 311.19763 191.8
[M+Na-2H]- 273.15845 161.7
[M]+ 252.18323 161.3
[M]- 252.18433 161.3
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.