CID 322565

3,3-dichloropiperidin-2-one

Structural Information

Molecular Formula
C5H7Cl2NO
SMILES
C1CC(C(=O)NC1)(Cl)Cl
InChI
InChI=1S/C5H7Cl2NO/c6-5(7)2-1-3-8-4(5)9/h1-3H2,(H,8,9)
InChIKey
RDVZKTUYZCMKJY-UHFFFAOYSA-N
Compound name
3,3-dichloropiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

166.99046 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.99774 128.0
[M+Na]+ 189.97968 136.6
[M-H]- 165.98318 128.0
[M+NH4]+ 185.02428 149.5
[M+K]+ 205.95362 132.2
[M+H-H2O]+ 149.98772 124.8
[M+HCOO]- 211.98866 137.5
[M+CH3COO]- 226.00431 171.0
[M+Na-2H]- 187.96513 134.1
[M]+ 166.98991 124.7
[M]- 166.99101 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe