CID 28950174

4h,5h,6h-cyclopenta[d][1,3]thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1CC2=C(C1)SC(=N2)C=O
InChI
InChI=1S/C7H7NOS/c9-4-7-8-5-2-1-3-6(5)10-7/h4H,1-3H2
InChIKey
DJFDDSCRAJTISY-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.02484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 130.2
[M+Na]+ 176.01406 140.8
[M-H]- 152.01756 134.4
[M+NH4]+ 171.05866 155.6
[M+K]+ 191.98800 139.0
[M+H-H2O]+ 136.02210 125.6
[M+HCOO]- 198.02304 149.6
[M+CH3COO]- 212.03869 145.1
[M+Na-2H]- 173.99951 132.5
[M]+ 153.02429 132.7
[M]- 153.02539 132.7
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