CID 58075241

1250442-02-4

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=CC(=O)CCC2C1
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h8,11H,4-7,9H2,1-3H3
InChIKey
VWXWOSCDWNXSIK-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.4
[M+Na]+ 274.14137 168.2
[M+NH4]+ 269.18597 165.5
[M+K]+ 290.11531 163.3
[M-H]- 250.14487 158.4
[M+Na-2H]- 272.12682 161.0
[M]+ 251.15160 159.5
[M]- 251.15270 159.5
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