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]+ 259.12078 161.4
[M+Na]+ 281.10272 165.3
[M-H]- 257.10622 163.7
[M+NH4]+ 276.14732 177.4
[M+K]+ 297.07666 161.9
[M+H-H2O]+ 241.11076 153.4
[M+HCOO]- 303.11170 171.4
[M+CH3COO]- 317.12735 190.8
[M+Na-2H]- 279.08817 159.1
[M]+ 258.11295 156.7
[M]- 258.11405 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