CID 85803

15111-56-5

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCOC(=O)C1CCC=CC1

InChI

InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,8H,2,5-7H2,1H3

InChIKey

BYNLHLLOIZDKIC-UHFFFAOYSA-N

Compound name

ethyl cyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 232
Patents: 154.09938 Da
Monoisotopic Mass: 2.0
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	133.2
[M+Na]+	177.088598	138.6
[M-H]-	153.092104	136.2
[M+NH4]+	172.133203	154.0
[M+K]+	193.062538	138.1
[M+H-H2O]+	137.096640	127.6
[M+HCOO]-	199.097581	154.6
[M+CH3COO]-	213.113231	175.4
[M+Na-2H]-	175.074046	138.2
[M]+	154.09883142	131.7
[M]-	154.09992858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe