CID 61282684

933752-92-2

Structural Information

Molecular Formula

C₁₀H₁₃NOS

SMILES

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

InChI

InChI=1S/C10H13NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h6-8H,1-5H2

InChIKey

PLBXFRGUUPATMB-UHFFFAOYSA-N

Compound name

2-cyclohexyl-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 195.0718 Da
Monoisotopic Mass: 3.0
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]+	196.07908	142.0
[M+Na]+	218.06102	149.1
[M-H]-	194.06452	147.2
[M+NH4]+	213.10562	162.4
[M+K]+	234.03496	146.3
[M+H-H2O]+	178.06906	135.5
[M+HCOO]-	240.07000	158.4
[M+CH3COO]-	254.08565	179.7
[M+Na-2H]-	216.04647	142.7
[M]+	195.07125	140.4
[M]-	195.07235	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe