CID 9106643

50669-65-3

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]+ 216.114976 148.7
[M+Na]+ 238.096918 153.2
[M-H]- 214.100424 149.9
[M+NH4]+ 233.141523 167.5
[M+K]+ 254.070858 149.5
[M+H-H2O]+ 198.104960 142.5
[M+HCOO]- 260.105901 158.7
[M+CH3COO]- 274.121551 185.5
[M+Na-2H]- 236.082366 151.5
[M]+ 215.10715142 143.7
[M]- 215.10824858 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.