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]+ 156.04776 130.1
[M+Na]+ 178.02970 140.0
[M-H]- 154.03320 133.1
[M+NH4]+ 173.07430 152.6
[M+K]+ 194.00364 137.9
[M+H-H2O]+ 138.03774 124.5
[M+HCOO]- 200.03868 150.0
[M+CH3COO]- 214.05433 174.2
[M+Na-2H]- 176.01515 132.6
[M]+ 155.03993 133.9
[M]- 155.04103 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