CID 177798476

3-(propan-2-yl)-1,2-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC(C)C1=NSC=C1C=O
InChI
InChI=1S/C7H9NOS/c1-5(2)7-6(3-9)4-10-8-7/h3-5H,1-2H3
InChIKey
XJEMJEQXMHRHMP-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,2-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 130.5
[M+Na]+ 178.029698 140.2
[M-H]- 154.033204 133.7
[M+NH4]+ 173.074303 153.0
[M+K]+ 194.003638 138.5
[M+H-H2O]+ 138.037740 125.0
[M+HCOO]- 200.038681 149.4
[M+CH3COO]- 214.054331 175.0
[M+Na-2H]- 176.015146 132.0
[M]+ 155.03993142 133.8
[M]- 155.04102858 133.8
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

No patent data available for this compound.