CID 64984031

2-cyclobutyl-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1CC(C1)C2=NC=C(S2)C=O
InChI
InChI=1S/C8H9NOS/c10-5-7-4-9-8(11-7)6-2-1-3-6/h4-6H,1-3H2
InChIKey
BQZAQQSRZCHPEG-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

167.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 126.2
[M+Na]+ 190.02970 133.3
[M-H]- 166.03320 131.8
[M+NH4]+ 185.07430 141.2
[M+K]+ 206.00364 134.1
[M+H-H2O]+ 150.03774 114.9
[M+HCOO]- 212.03868 144.1
[M+CH3COO]- 226.05433 178.9
[M+Na-2H]- 188.01515 128.2
[M]+ 167.03993 136.1
[M]- 167.04103 136.1
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