CID 3050710

Brn 2047571

Structural Information

Molecular Formula
C11H12O
SMILES
C1C[C@@H]2C3=CC=CC=C3[C@@]2(C1)O
InChI
InChI=1S/C11H12O/c12-11-7-3-6-10(11)8-4-1-2-5-9(8)11/h1-2,4-5,10,12H,3,6-7H2/t10-,11-/m1/s1
InChIKey
BKQSPUYYVDBZEF-GHMZBOCLSA-N
Compound name
(2S,6R)-tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08882 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 130.3
[M+Na]+ 183.07804 138.4
[M-H]- 159.08154 135.0
[M+NH4]+ 178.12264 150.1
[M+K]+ 199.05198 137.5
[M+H-H2O]+ 143.08608 121.9
[M+HCOO]- 205.08702 150.4
[M+CH3COO]- 219.10267 144.1
[M+Na-2H]- 181.06349 138.3
[M]+ 160.08827 137.9
[M]- 160.08937 137.9
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.