CID 45083848

2-isopropylthiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC(C)C1=NC=C(S1)C=O
InChI
InChI=1S/C7H9NOS/c1-5(2)7-8-3-6(4-9)10-7/h3-5H,1-2H3
InChIKey
AQUYPRJMFNPTGE-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 132.7
[M+Na]+ 178.02970 143.8
[M+NH4]+ 173.07430 141.4
[M+K]+ 194.00364 138.0
[M-H]- 154.03320 133.7
[M+Na-2H]- 176.01515 137.3
[M]+ 155.03993 134.9
[M]- 155.04103 134.9
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