CID 131854988

54395-73-2

Structural Information

Molecular Formula
C10H16ClNO
SMILES
C1CC[C@H]2[C@@H](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/t8-,9-/m0/s1
InChIKey
HYRPDMOJNQURHZ-IUCAKERBSA-N
Compound name
(4aS,8aS)-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

0
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 144.1
[M+Na]+ 224.08126 149.0
[M-H]- 200.08476 145.5
[M+NH4]+ 219.12586 163.4
[M+K]+ 240.05520 145.6
[M+H-H2O]+ 184.08930 138.1
[M+HCOO]- 246.09024 154.4
[M+CH3COO]- 260.10589 182.5
[M+Na-2H]- 222.06671 147.4
[M]+ 201.09149 138.7
[M]- 201.09259 138.7
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

No patent data available for this compound.