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]+ 179.106656 133.7
[M+Na]+ 201.088598 138.9
[M-H]- 177.092104 136.8
[M+NH4]+ 196.133203 152.5
[M+K]+ 217.062538 140.1
[M+H-H2O]+ 161.096640 130.1
[M+HCOO]- 223.097581 151.6
[M+CH3COO]- 237.113231 178.6
[M+Na-2H]- 199.074046 139.6
[M]+ 178.09883142 127.4
[M]- 178.09992858 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.