CID 18924582

Rac-(4ar,8ar)-decahydroquinoline-1-carbonyl chloride

Structural Information

Molecular Formula
C10H16ClNO
SMILES
C1CCC2C(C1)CCCN2C(=O)Cl
InChI
InChI=1S/C10H16ClNO/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h8-9H,1-7H2
InChIKey
HYRPDMOJNQURHZ-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

201.09204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09932 142.8
[M+Na]+ 224.08126 154.2
[M+NH4]+ 219.12586 152.4
[M+K]+ 240.05520 147.1
[M-H]- 200.08476 144.7
[M+Na-2H]- 222.06671 146.9
[M]+ 201.09149 145.0
[M]- 201.09259 145.0
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