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]+ 275.175396 168.2
[M+Na]+ 297.157338 174.0
[M-H]- 273.160844 168.7
[M+NH4]+ 292.201943 185.0
[M+K]+ 313.131278 170.0
[M+H-H2O]+ 257.165380 161.2
[M+HCOO]- 319.166321 180.2
[M+CH3COO]- 333.181971 196.1
[M+Na-2H]- 295.142786 170.8
[M]+ 274.16757142 165.3
[M]- 274.16866858 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.