CID 100950

1-acetylpiperidine-4-carbonyl chloride

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
CC(=O)N1CCC(CC1)C(=O)Cl
InChI
InChI=1S/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3
InChIKey
OHCPVLJEAHBMEG-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

688
Patents

189.05565 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.062926 138.0
[M+Na]+ 212.044868 144.6
[M-H]- 188.048374 139.7
[M+NH4]+ 207.089473 157.0
[M+K]+ 228.018808 142.4
[M+H-H2O]+ 172.052910 132.8
[M+HCOO]- 234.053851 151.6
[M+CH3COO]- 248.069501 180.3
[M+Na-2H]- 210.030316 140.4
[M]+ 189.05510142 136.3
[M]- 189.05619858 136.3
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