CID 3016319

Piperidine-4-carbonyl chloride hydrochloride

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1CNCCC1C(=O)Cl
InChI
InChI=1S/C6H10ClNO/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2
InChIKey
PHXHRAOVMXOPIC-UHFFFAOYSA-N
Compound name
piperidine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

147.04509 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 128.9
[M+Na]+ 170.034308 134.8
[M-H]- 146.037814 128.8
[M+NH4]+ 165.078913 148.6
[M+K]+ 186.008248 131.8
[M+H-H2O]+ 130.042350 123.9
[M+HCOO]- 192.043291 142.1
[M+CH3COO]- 206.058941 169.2
[M+Na-2H]- 168.019756 133.5
[M]+ 147.04454142 124.0
[M]- 147.04563858 124.0
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