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]+ 203.11789 143.6
[M+Na]+ 225.09983 151.5
[M-H]- 201.10333 146.3
[M+NH4]+ 220.14443 163.2
[M+K]+ 241.07377 150.1
[M+H-H2O]+ 185.10787 138.8
[M+HCOO]- 247.10881 162.3
[M+CH3COO]- 261.12446 155.5
[M+Na-2H]- 223.08528 149.3
[M]+ 202.11006 138.5
[M]- 202.11116 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.