CID 87425376

4-cyanopiperidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1CN(CCC1C#N)C(=O)Cl
InChI
InChI=1S/C7H9ClN2O/c8-7(11)10-3-1-6(5-9)2-4-10/h6H,1-4H2
InChIKey
DMUCTISSSRYDFG-UHFFFAOYSA-N
Compound name
4-cyanopiperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.04034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.4
[M+Na]+ 195.02956 141.5
[M-H]- 171.03306 133.9
[M+NH4]+ 190.07416 150.2
[M+K]+ 211.00350 138.0
[M+H-H2O]+ 155.03760 120.6
[M+HCOO]- 217.03854 144.2
[M+CH3COO]- 231.05419 189.2
[M+Na-2H]- 193.01501 136.4
[M]+ 172.03979 125.3
[M]- 172.04089 125.3
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

patents stripe