CID 3061956

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

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1C=C2CC[C@@H]([C@H](C3=C2C1=CC=C3)O)N
InChI
InChI=1S/C13H16N2O/c1-15-7-8-5-6-10(14)13(16)9-3-2-4-11(15)12(8)9/h2-4,7,10,13,16H,5-6,14H2,1H3/t10-,13-/m0/s1
InChIKey
JKZIPOYAGGHHRL-GWCFXTLKSA-N
Compound name
(9S,10S)-10-amino-3-methyl-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

216.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 143.3
[M+Na]+ 239.11549 153.9
[M+NH4]+ 234.16009 151.7
[M+K]+ 255.08943 150.8
[M-H]- 215.11899 145.3
[M+Na-2H]- 237.10094 147.5
[M]+ 216.12572 145.4
[M]- 216.12682 145.4
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.