CID 3531511

1-vinylcyclooctanol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C=CC1(CCCCCCC1)O

InChI

InChI=1S/C10H18O/c1-2-10(11)8-6-4-3-5-7-9-10/h2,11H,1,3-9H2

InChIKey

WRSXHGHFNWOBER-UHFFFAOYSA-N

Compound name

1-ethenylcyclooctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.14305	148.7
[M+Na]+	177.12499	152.6
[M-H]-	153.12849	149.6
[M+NH4]+	172.16959	158.6
[M+K]+	193.09893	152.7
[M+H-H2O]+	137.13303	145.6
[M+HCOO]-	199.13397	156.9
[M+CH3COO]-	213.14962	217.9
[M+Na-2H]-	175.11044	149.0
[M]+	154.13522	145.9
[M]-	154.13632	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe