CID 12697181

17339-74-1

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=O)/C/1=C/CCCCCC1

InChI

InChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+

InChIKey

OTTUWUUZYZNZJD-JXMROGBWSA-N

Compound name

1-[(1E)-cycloocten-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 152.12012 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]+	153.12740	143.2
[M+Na]+	175.10934	147.3
[M-H]-	151.11284	144.9
[M+NH4]+	170.15394	152.7
[M+K]+	191.08328	147.9
[M+H-H2O]+	135.11738	140.0
[M+HCOO]-	197.11832	152.5
[M+CH3COO]-	211.13397	219.5
[M+Na-2H]-	173.09479	143.7
[M]+	152.11957	141.7
[M]-	152.12067	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe