CID 83488481

Tert-butyl 7-amino-decahydroisoquinoline-2-carboxylate

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2CCC(CC2C1)N
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h10-12H,4-9,15H2,1-3H3
InChIKey
AFDHNDBUQDWTBZ-UHFFFAOYSA-N
Compound name
tert-butyl 7-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 163.2
[M+Na]+ 277.18865 166.3
[M-H]- 253.19215 164.2
[M+NH4]+ 272.23325 179.5
[M+K]+ 293.16259 164.5
[M+H-H2O]+ 237.19669 156.6
[M+HCOO]- 299.19763 175.8
[M+CH3COO]- 313.21328 197.5
[M+Na-2H]- 275.17410 164.6
[M]+ 254.19888 156.9
[M]- 254.19998 156.9
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.