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]+ 154.032116 130.2
[M+Na]+ 176.014058 140.8
[M-H]- 152.017564 134.4
[M+NH4]+ 171.058663 155.6
[M+K]+ 191.987998 139.0
[M+H-H2O]+ 136.022100 125.6
[M+HCOO]- 198.023041 149.6
[M+CH3COO]- 212.038691 145.1
[M+Na-2H]- 173.999506 132.5
[M]+ 153.02429142 132.7
[M]- 153.02538858 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