CID 4461141

13249-77-9

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CC(CC2=CC=CC=C2C1)O

InChI

InChI=1S/C11H14O/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11-12H,3,6-8H2

InChIKey

OBSUHLMQAWNOPN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 162.10446 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.11174	130.2
[M+Na]+	185.09368	135.1
[M-H]-	161.09718	134.2
[M+NH4]+	180.13828	150.1
[M+K]+	201.06762	136.2
[M+H-H2O]+	145.10172	126.5
[M+HCOO]-	207.10266	149.4
[M+CH3COO]-	221.11831	142.7
[M+Na-2H]-	183.07913	137.2
[M]+	162.10391	123.9
[M]-	162.10501	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe