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]+ 170.063416 136.0
[M+Na]+ 192.045358 146.0
[M-H]- 168.048864 139.2
[M+NH4]+ 187.089963 158.2
[M+K]+ 208.019298 144.0
[M+H-H2O]+ 152.053400 130.9
[M+HCOO]- 214.054341 154.0
[M+CH3COO]- 228.069991 176.8
[M+Na-2H]- 190.030806 138.8
[M]+ 169.05559142 139.6
[M]- 169.05668858 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.