CID 2775622

{bicyclo[2.2.2]oct-5-en-2-yl}methanol

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2C=CC1CC2CO

InChI

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

InChIKey

KOCJWKFHBTXNJS-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.2]oct-5-enylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	124.1
[M+Na]+	161.09368	135.2
[M+NH4]+	156.13828	135.9
[M+K]+	177.06762	127.8
[M-H]-	137.09718	123.1
[M+Na-2H]-	159.07913	123.9
[M]+	138.10391	125.4
[M]-	138.10501	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe