CID 45791958

2-cyclopropylthiazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1CC1C2=NC(=CS2)C=O
InChI
InChI=1S/C7H7NOS/c9-3-6-4-10-7(8-6)5-1-2-5/h3-5H,1-2H2
InChIKey
KMXDXOWGZAQHTH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

153.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 134.2
[M+Na]+ 176.01406 147.3
[M+NH4]+ 171.05866 144.0
[M+K]+ 191.98800 142.1
[M-H]- 152.01756 143.5
[M+Na-2H]- 173.99951 142.6
[M]+ 153.02429 140.2
[M]- 153.02539 140.2
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