CID 52908095

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethan-1-one

Structural Information

Molecular Formula
C14H23ClN2O2
SMILES
C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C14H23ClN2O2/c15-11-13(18)16-9-5-12(6-10-16)14(19)17-7-3-1-2-4-8-17/h12H,1-11H2
InChIKey
MTGHNEJOAHCQBK-UHFFFAOYSA-N
Compound name
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.1448 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15208 162.8
[M+Na]+ 309.13402 164.5
[M-H]- 285.13752 165.4
[M+NH4]+ 304.17862 175.0
[M+K]+ 325.10796 165.2
[M+H-H2O]+ 269.14206 153.5
[M+HCOO]- 331.14300 170.3
[M+CH3COO]- 345.15865 198.1
[M+Na-2H]- 307.11947 161.6
[M]+ 286.14425 154.0
[M]- 286.14535 154.0
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