CID 9106643

Rac-1-[(4ar,8as)-decahydroquinolin-1-yl]-2-chloroethan-1-one

Structural Information

Molecular Formula
C11H18ClNO
SMILES
C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CCl
InChI
InChI=1S/C11H18ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h9-10H,1-8H2/t9-,10+/m0/s1
InChIKey
RDTNIAJMHHVOCO-VHSXEESVSA-N
Compound name
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11498 148.7
[M+Na]+ 238.09692 153.2
[M-H]- 214.10042 149.9
[M+NH4]+ 233.14152 167.5
[M+K]+ 254.07086 149.5
[M+H-H2O]+ 198.10496 142.5
[M+HCOO]- 260.10590 158.7
[M+CH3COO]- 274.12155 185.5
[M+Na-2H]- 236.08237 151.5
[M]+ 215.10715 143.7
[M]- 215.10825 143.7
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.