CID 137945380

2287316-02-1

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2CC(CCC2C1)C#N
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-7-6-12-8-11(9-16)4-5-13(12)10-17/h11-13H,4-8,10H2,1-3H3
InChIKey
XJOWSGVZGUJIBU-UHFFFAOYSA-N
Compound name
tert-butyl 6-cyano-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

264.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 163.4
[M+Na]+ 287.17300 169.7
[M-H]- 263.17650 164.7
[M+NH4]+ 282.21760 178.1
[M+K]+ 303.14694 165.6
[M+H-H2O]+ 247.18104 150.6
[M+HCOO]- 309.18198 172.9
[M+CH3COO]- 323.19763 207.9
[M+Na-2H]- 285.15845 165.0
[M]+ 264.18323 154.5
[M]- 264.18433 154.5
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.