CID 40221

Cis-6,7,8,9-tetrahydro-6-amino-5h-benzocycloheptene-2,3,5-triol

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1C[C@H]([C@H](C2=CC(=C(C=C2C1)O)O)O)N
InChI
InChI=1S/C11H15NO3/c12-8-3-1-2-6-4-9(13)10(14)5-7(6)11(8)15/h4-5,8,11,13-15H,1-3,12H2/t8-,11+/m1/s1
InChIKey
CXOMNHDKNWKHID-KCJUWKMLSA-N
Compound name
(5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 142.1
[M+Na]+ 232.09442 147.7
[M-H]- 208.09792 144.0
[M+NH4]+ 227.13902 159.0
[M+K]+ 248.06836 149.3
[M+H-H2O]+ 192.10246 138.1
[M+HCOO]- 254.10340 159.0
[M+CH3COO]- 268.11905 185.1
[M+Na-2H]- 230.07987 145.5
[M]+ 209.10465 134.7
[M]- 209.10575 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.