CID 6174495

93981-85-2

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+

InChIKey

GCKRQQJBNDAYRT-JXMROGBWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 168.11504 Da
Monoisotopic Mass: 2.8
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]+	169.122316	144.9
[M+Na]+	191.104258	149.0
[M-H]-	167.107764	146.6
[M+NH4]+	186.148863	154.2
[M+K]+	207.078198	149.9
[M+H-H2O]+	151.112300	141.6
[M+HCOO]-	213.113241	154.3
[M+CH3COO]-	227.128891	220.0
[M+Na-2H]-	189.089706	145.4
[M]+	168.11449142	144.0
[M]-	168.11558858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe