CID 61282885

2-(2-methylpropyl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC(C)CC1=NC=C(S1)C=O
InChI
InChI=1S/C8H11NOS/c1-6(2)3-8-9-4-7(5-10)11-8/h4-6H,3H2,1-2H3
InChIKey
XUPKKEPKKCJOBI-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 137.1
[M+Na]+ 192.04536 148.0
[M+NH4]+ 187.08996 145.6
[M+K]+ 208.01930 141.9
[M-H]- 168.04886 138.0
[M+Na-2H]- 190.03081 141.4
[M]+ 169.05559 139.2
[M]- 169.05669 139.2
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