CID 82665285

1246033-04-4

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2CC(CCC2C1)N
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h10-12H,4-9,15H2,1-3H3
InChIKey
ZJOCZWZSGVQGDF-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 161.5
[M+Na]+ 277.18865 169.2
[M+NH4]+ 272.23325 168.7
[M+K]+ 293.16259 164.7
[M-H]- 253.19215 162.1
[M+Na-2H]- 275.17410 162.9
[M]+ 254.19888 162.4
[M]- 254.19998 162.4
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.