CID 45083847

211942-96-0

Structural Information

Molecular Formula
C7H9NOS
SMILES
CCCC1=CSC(=N1)C=O
InChI
InChI=1S/C7H9NOS/c1-2-3-6-5-10-7(4-9)8-6/h4-5H,2-3H2,1H3
InChIKey
DGKMEYOBTWLPJQ-UHFFFAOYSA-N
Compound name
4-propyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 130.1
[M+Na]+ 178.029698 140.0
[M-H]- 154.033204 133.1
[M+NH4]+ 173.074303 152.6
[M+K]+ 194.003638 137.9
[M+H-H2O]+ 138.037740 124.5
[M+HCOO]- 200.038681 150.0
[M+CH3COO]- 214.054331 174.2
[M+Na-2H]- 176.015146 132.6
[M]+ 155.03993142 133.9
[M]- 155.04102858 133.9
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