CID 361992

Nsc625471

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2CC=CC(C1)C2O

InChI

InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-10H,2,4-6H2

InChIKey

PGLXEGLAJQKZSQ-UHFFFAOYSA-N

Compound name

bicyclo[3.3.1]non-2-en-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 1.8
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]+	139.11174	127.7
[M+Na]+	161.09368	133.3
[M-H]-	137.09718	128.8
[M+NH4]+	156.13828	150.4
[M+K]+	177.06762	131.0
[M+H-H2O]+	121.10172	123.0
[M+HCOO]-	183.10266	144.9
[M+CH3COO]-	197.11831	171.9
[M+Na-2H]-	159.07913	135.1
[M]+	138.10391	122.6
[M]-	138.10501	122.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.