CID 137964339

3-(chloromethyl)-1-methylpiperidin-2-one

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CN1CCCC(C1=O)CCl
InChI
InChI=1S/C7H12ClNO/c1-9-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3
InChIKey
WSFUKRQQUXPWPD-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.06075 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 131.9
[M+Na]+ 184.04997 139.9
[M-H]- 160.05347 133.7
[M+NH4]+ 179.09457 152.5
[M+K]+ 200.02391 137.2
[M+H-H2O]+ 144.05801 126.9
[M+HCOO]- 206.05895 147.3
[M+CH3COO]- 220.07460 176.3
[M+Na-2H]- 182.03542 136.4
[M]+ 161.06020 130.6
[M]- 161.06130 130.6
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.