CID 22131107

5-cyclohexyl-2-thiophenecarboxaldehyde

Structural Information

Molecular Formula

C₁₁H₁₄OS

SMILES

C1CCC(CC1)C2=CC=C(S2)C=O

InChI

InChI=1S/C11H14OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h6-9H,1-5H2

InChIKey

PKJNSTIWWCVZRG-UHFFFAOYSA-N

Compound name

5-cyclohexylthiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.07654 Da
Monoisotopic Mass: 3.6
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]+	195.08382	142.7
[M+Na]+	217.06576	149.3
[M-H]-	193.06926	149.2
[M+NH4]+	212.11036	164.4
[M+K]+	233.03970	146.2
[M+H-H2O]+	177.07380	136.9
[M+HCOO]-	239.07474	160.0
[M+CH3COO]-	253.09039	180.1
[M+Na-2H]-	215.05121	143.0
[M]+	194.07599	140.9
[M]-	194.07709	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe