CID 6365802

4-cycloocten-1-ol, formate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1C/C=C\CCC(C1)OC=O

InChI

InChI=1S/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2/b2-1-

InChIKey

MOODCRUVWQJONR-UPHRSURJSA-N

Compound name

[(4Z)-cyclooct-4-en-1-yl] formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 154.09938 Da
Monoisotopic Mass: 2.4
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]+	155.106656	141.4
[M+Na]+	177.088598	145.8
[M-H]-	153.092104	143.1
[M+NH4]+	172.133203	150.9
[M+K]+	193.062538	146.5
[M+H-H2O]+	137.096640	138.1
[M+HCOO]-	199.097581	151.4
[M+CH3COO]-	213.113231	218.7
[M+Na-2H]-	175.074046	142.8
[M]+	154.09883142	140.6
[M]-	154.09992858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe