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]+ 168.047756 126.2
[M+Na]+ 190.029698 133.3
[M-H]- 166.033204 131.8
[M+NH4]+ 185.074303 141.2
[M+K]+ 206.003638 134.1
[M+H-H2O]+ 150.037740 114.9
[M+HCOO]- 212.038681 144.1
[M+CH3COO]- 226.054331 178.9
[M+Na-2H]- 188.015146 128.2
[M]+ 167.03993142 136.1
[M]- 167.04102858 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