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

17
Patents

172.04034 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 132.4
[M+Na]+ 195.029558 141.5
[M-H]- 171.033064 133.9
[M+NH4]+ 190.074163 150.2
[M+K]+ 211.003498 138.0
[M+H-H2O]+ 155.037600 120.6
[M+HCOO]- 217.038541 144.2
[M+CH3COO]- 231.054191 189.2
[M+Na-2H]- 193.015006 136.4
[M]+ 172.03979142 125.3
[M]- 172.04088858 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