CID 37171

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

Structural Information

Molecular Formula
C11H14O
SMILES
C1CCC2=CC=CC=C2C(C1)O
InChI
InChI=1S/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2
InChIKey
ZBNIQZCMPPVSKL-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

110
Patents

162.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 130.2
[M+Na]+ 185.093678 135.1
[M-H]- 161.097184 134.2
[M+NH4]+ 180.138283 150.1
[M+K]+ 201.067618 136.2
[M+H-H2O]+ 145.101720 126.5
[M+HCOO]- 207.102661 149.4
[M+CH3COO]- 221.118311 142.7
[M+Na-2H]- 183.079126 137.2
[M]+ 162.10391142 123.9
[M]- 162.10500858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe