CID 3061863

1h-cyclohept(c,d)indol-6-ol, 3,4,5,6-tetrahydro-5-amino-, trans-(+-)-, acetate (salt)

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC2=CNC3=CC=CC(=C23)[C@@H]([C@H]1N)O
InChI
InChI=1S/C12H14N2O/c13-9-5-4-7-6-14-10-3-1-2-8(11(7)10)12(9)15/h1-3,6,9,12,14-15H,4-5,13H2/t9-,12-/m0/s1
InChIKey
VUWRDJQMMKLTFO-CABZTGNLSA-N
Compound name
(9S,10S)-10-amino-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.6
[M+Na]+ 225.099828 151.5
[M-H]- 201.103334 146.3
[M+NH4]+ 220.144433 163.2
[M+K]+ 241.073768 150.1
[M+H-H2O]+ 185.107870 138.8
[M+HCOO]- 247.108811 162.3
[M+CH3COO]- 261.124461 155.5
[M+Na-2H]- 223.085276 149.3
[M]+ 202.11006142 138.5
[M]- 202.11115858 138.5
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.