CID 14358706

3-methoxy-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol

Structural Information

Molecular Formula
C12H16O2
SMILES
COC1=CC2=C(CCCCC2O)C=C1
InChI
InChI=1S/C12H16O2/c1-14-10-7-6-9-4-2-3-5-12(13)11(9)8-10/h6-8,12-13H,2-5H2,1H3
InChIKey
ILAPVIYVJKQBAO-UHFFFAOYSA-N
Compound name
3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 137.5
[M+Na]+ 215.10426 142.7
[M-H]- 191.10776 141.7
[M+NH4]+ 210.14886 156.4
[M+K]+ 231.07820 144.4
[M+H-H2O]+ 175.11230 133.5
[M+HCOO]- 237.11324 156.5
[M+CH3COO]- 251.12889 183.9
[M+Na-2H]- 213.08971 143.3
[M]+ 192.11449 133.2
[M]- 192.11559 133.2
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.