CID 124203641

1422344-51-1

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CNC3=CC=CC=C3[C@@H]2C1
InChI
InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-9-11-8-17-14-7-5-4-6-12(14)13(11)10-18/h4-7,11,13,17H,8-10H2,1-3H3/t11-,13+/m0/s1
InChIKey
UKODSGDGRCDPPY-WCQYABFASA-N
Compound name
tert-butyl (3aS,9bR)-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 168.2
[M+Na]+ 297.15734 174.0
[M-H]- 273.16084 168.7
[M+NH4]+ 292.20194 185.0
[M+K]+ 313.13128 170.0
[M+H-H2O]+ 257.16538 161.2
[M+HCOO]- 319.16632 180.2
[M+CH3COO]- 333.18197 196.1
[M+Na-2H]- 295.14279 170.8
[M]+ 274.16757 165.3
[M]- 274.16867 165.3
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.