CID 11073501

(e)-cyclooct-1-enecarbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC/C(=C\CC1)/C=O

InChI

InChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h6,8H,1-5,7H2/b9-6+

InChIKey

TZBOAAPYTXFCMK-RMKNXTFCSA-N

Compound name

(1E)-cyclooctene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 138.10446 Da
Monoisotopic Mass: 2.7
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]+	139.11174	135.2
[M+Na]+	161.09368	139.0
[M+NH4]+	156.13828	138.4
[M+K]+	177.06762	138.5
[M-H]-	137.09718	136.1
[M+Na-2H]-	159.07913	139.1
[M]+	138.10391	135.9
[M]-	138.10501	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe