CID 72407354

1783330-01-7

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2C(C1)CCCC2=O
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-15)5-4-6-12(11)16/h10-11H,4-9H2,1-3H3
InChIKey
XBDUKKODGGWYIN-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-1,3,4,4a,6,7,8,8a-octahydroisoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.3
[M+Na]+ 276.15702 164.5
[M-H]- 252.16052 162.0
[M+NH4]+ 271.20162 177.1
[M+K]+ 292.13096 163.0
[M+H-H2O]+ 236.16506 153.9
[M+HCOO]- 298.16600 172.9
[M+CH3COO]- 312.18165 194.3
[M+Na-2H]- 274.14247 162.6
[M]+ 253.16725 156.5
[M]- 253.16835 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

No patent data available for this compound.