CID 91647462

5-tert-butyl-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC(C)(C)C1=CN=C(S1)C=O
InChI
InChI=1S/C8H11NOS/c1-8(2,3)6-4-9-7(5-10)11-6/h4-5H,1-3H3
InChIKey
VAOKRXJCKZRLJN-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 138.4
[M+Na]+ 192.04536 149.4
[M+NH4]+ 187.08996 146.9
[M+K]+ 208.01930 143.6
[M-H]- 168.04886 139.0
[M+Na-2H]- 190.03081 143.0
[M]+ 169.05559 140.6
[M]- 169.05669 140.6
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

No patent data available for this compound.