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

1
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

literature stripe

Patent stripe

patents stripe