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]+ 170.063416 135.1
[M+Na]+ 192.045358 144.3
[M-H]- 168.048864 138.1
[M+NH4]+ 187.089963 157.0
[M+K]+ 208.019298 142.4
[M+H-H2O]+ 152.053400 129.4
[M+HCOO]- 214.054341 153.6
[M+CH3COO]- 228.069991 178.0
[M+Na-2H]- 190.030806 136.0
[M]+ 169.05559142 138.7
[M]- 169.05668858 138.7
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