CID 582264

6,7-dihydro-5h-benzo[7]annulene

Structural Information

Molecular Formula
C11H12
SMILES
C1CC=CC2=CC=CC=C2C1
InChI
InChI=1S/C11H12/c1-2-6-10-8-4-5-9-11(10)7-3-1/h2,4-6,8-9H,1,3,7H2
InChIKey
DTRRHWQMEXXDFE-UHFFFAOYSA-N
Compound name
8,9-dihydro-7H-benzo[7]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

811
Patents

144.0939 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10118 125.3
[M+Na]+ 167.08312 130.8
[M-H]- 143.08662 130.7
[M+NH4]+ 162.12772 146.4
[M+K]+ 183.05706 131.9
[M+H-H2O]+ 127.09116 121.5
[M+HCOO]- 189.09210 147.1
[M+CH3COO]- 203.10775 138.7
[M+Na-2H]- 165.06857 134.5
[M]+ 144.09335 120.4
[M]- 144.09445 120.4
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.