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]+ 148.05237 128.6
[M+Na]+ 170.03431 135.7
[M-H]- 146.03781 128.8
[M+NH4]+ 165.07891 148.7
[M+K]+ 186.00825 132.2
[M+H-H2O]+ 130.04235 123.7
[M+HCOO]- 192.04329 142.8
[M+CH3COO]- 206.05894 169.5
[M+Na-2H]- 168.01976 133.7
[M]+ 147.04454 124.6
[M]- 147.04564 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.