CID 61282684

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

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

15
Patents

195.0718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.079076 142.0
[M+Na]+ 218.061018 149.1
[M-H]- 194.064524 147.2
[M+NH4]+ 213.105623 162.4
[M+K]+ 234.034958 146.3
[M+H-H2O]+ 178.069060 135.5
[M+HCOO]- 240.070001 158.4
[M+CH3COO]- 254.085651 179.7
[M+Na-2H]- 216.046466 142.7
[M]+ 195.07125142 140.4
[M]- 195.07234858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe