CID 10866907

93640-65-4

Structural Information

Molecular Formula
C11H14O2
SMILES
C1C[C@@H]([C@@H](C2=CC=CC=C2C1)O)O
InChI
InChI=1S/C11H14O2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-13H,3,5,7H2/t10-,11+/m0/s1
InChIKey
QGVXNVFNLXEOHJ-WDEREUQCSA-N
Compound name
(5R,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 133.7
[M+Na]+ 201.08860 138.9
[M-H]- 177.09210 136.8
[M+NH4]+ 196.13320 152.5
[M+K]+ 217.06254 140.1
[M+H-H2O]+ 161.09664 130.1
[M+HCOO]- 223.09758 151.6
[M+CH3COO]- 237.11323 178.6
[M+Na-2H]- 199.07405 139.6
[M]+ 178.09883 127.4
[M]- 178.09993 127.4
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.