CID 242085

1-piperidinecarbonyl chloride

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1CCN(CC1)C(=O)Cl
InChI
InChI=1S/C6H10ClNO/c7-6(9)8-4-2-1-3-5-8/h1-5H2
InChIKey
BIFDXOOJPDHKJH-UHFFFAOYSA-N
Compound name
piperidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1970
Patents

147.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05237 128.4
[M+Na]+ 170.03431 134.8
[M-H]- 146.03781 129.8
[M+NH4]+ 165.07891 148.9
[M+K]+ 186.00825 132.7
[M+H-H2O]+ 130.04235 123.1
[M+HCOO]- 192.04329 143.1
[M+CH3COO]- 206.05894 171.2
[M+Na-2H]- 168.01976 133.6
[M]+ 147.04454 125.3
[M]- 147.04564 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

literature stripe

Patent stripe

patents stripe