CID 58739323

Rac-tert-butyl (4ar,8ar)-7-oxo-decahydroquinoline-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1CC(=O)CC2
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-10-6-7-11(16)9-12(10)15/h10,12H,4-9H2,1-3H3/t10-,12-/m1/s1
InChIKey
MKDLRIZGEHJSRV-ZYHUDNBSSA-N
Compound name
tert-butyl (4aR,8aR)-7-oxo-2,3,4,4a,5,6,8,8a-octahydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 160.3
[M+Na]+ 276.157018 164.5
[M-H]- 252.160524 162.0
[M+NH4]+ 271.201623 177.1
[M+K]+ 292.130958 163.0
[M+H-H2O]+ 236.165060 153.9
[M+HCOO]- 298.166001 172.9
[M+CH3COO]- 312.181651 194.3
[M+Na-2H]- 274.142466 162.6
[M]+ 253.16725142 156.5
[M]- 253.16834858 156.5
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