CID 3061865

1h-cyclohept(c,d)indol-6-ol, 3,4,5,6-tetrahydro-5-(methylamino)-, monohydrochloride, trans-(+-)-

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN[C@H]1CCC2=CNC3=CC=CC(=C23)[C@@H]1O
InChI
InChI=1S/C13H16N2O/c1-14-11-6-5-8-7-15-10-4-2-3-9(12(8)10)13(11)16/h2-4,7,11,13-16H,5-6H2,1H3/t11-,13-/m0/s1
InChIKey
XADRESZBHQPADA-AAEUAGOBSA-N
Compound name
(9S,10S)-10-(methylamino)-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

2
Patents

216.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 147.9
[M+Na]+ 239.11549 155.3
[M-H]- 215.11899 150.8
[M+NH4]+ 234.16009 167.1
[M+K]+ 255.08943 153.9
[M+H-H2O]+ 199.12353 142.8
[M+HCOO]- 261.12447 166.7
[M+CH3COO]- 275.14012 159.5
[M+Na-2H]- 237.10094 154.0
[M]+ 216.12572 144.0
[M]- 216.12682 144.0
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

patents stripe