CID 62929841

4h,6h,7h-pyrano[4,3-d][1,3]thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1COCC2=C1N=C(S2)C=O
InChI
InChI=1S/C7H7NO2S/c9-3-7-8-5-1-2-10-4-6(5)11-7/h3H,1-2,4H2
InChIKey
FRKPPSJVZYIRPN-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.01974 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 130.2
[M+Na]+ 192.00896 139.7
[M-H]- 168.01246 134.4
[M+NH4]+ 187.05356 151.7
[M+K]+ 207.98290 138.8
[M+H-H2O]+ 152.01700 125.2
[M+HCOO]- 214.01794 146.9
[M+CH3COO]- 228.03359 144.4
[M+Na-2H]- 189.99441 135.1
[M]+ 169.01919 132.3
[M]- 169.02029 132.3
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