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 136.0
[M+Na]+ 192.04536 146.0
[M-H]- 168.04886 139.2
[M+NH4]+ 187.08996 158.2
[M+K]+ 208.01930 144.0
[M+H-H2O]+ 152.05340 130.9
[M+HCOO]- 214.05434 154.0
[M+CH3COO]- 228.06999 176.8
[M+Na-2H]- 190.03081 138.8
[M]+ 169.05559 139.6
[M]- 169.05669 139.6
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.