CID 52908096

2-chloro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C12H19ClN2O2
SMILES
C1CCN(C1)C(=O)C2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C12H19ClN2O2/c13-9-11(16)14-7-3-10(4-8-14)12(17)15-5-1-2-6-15/h10H,1-9H2
InChIKey
KHRWBMNOGVDBIA-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.1135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.120776 161.4
[M+Na]+ 281.102718 165.3
[M-H]- 257.106224 163.7
[M+NH4]+ 276.147323 177.4
[M+K]+ 297.076658 161.9
[M+H-H2O]+ 241.110760 153.4
[M+HCOO]- 303.111701 171.4
[M+CH3COO]- 317.127351 190.8
[M+Na-2H]- 279.088166 159.1
[M]+ 258.11295142 156.7
[M]- 258.11404858 156.7
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