CID 54594151

6-(chloromethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1CC(NC(=O)C1)CCl
InChI
InChI=1S/C6H10ClNO/c7-4-5-2-1-3-6(9)8-5/h5H,1-4H2,(H,8,9)
InChIKey
MYJVYZJJCCRNNB-UHFFFAOYSA-N
Compound name
6-(chloromethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04509 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 128.6
[M+Na]+ 170.034308 135.7
[M-H]- 146.037814 128.8
[M+NH4]+ 165.078913 148.7
[M+K]+ 186.008248 132.2
[M+H-H2O]+ 130.042350 123.7
[M+HCOO]- 192.043291 142.8
[M+CH3COO]- 206.058941 169.5
[M+Na-2H]- 168.019756 133.7
[M]+ 147.04454142 124.6
[M]- 147.04563858 124.6
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.