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]+ 170.027016 130.2
[M+Na]+ 192.008958 139.7
[M-H]- 168.012464 134.4
[M+NH4]+ 187.053563 151.7
[M+K]+ 207.982898 138.8
[M+H-H2O]+ 152.017000 125.2
[M+HCOO]- 214.017941 146.9
[M+CH3COO]- 228.033591 144.4
[M+Na-2H]- 189.994406 135.1
[M]+ 169.01919142 132.3
[M]- 169.02028858 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