CID 7176223

886502-54-1

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
CC1=NC(=NC=C1)SC2=CC=C(O2)C=O
InChI
InChI=1S/C10H8N2O2S/c1-7-4-5-11-10(12-7)15-9-3-2-8(6-13)14-9/h2-6H,1H3
InChIKey
OOGYCWSHTHIGKG-UHFFFAOYSA-N
Compound name
5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 144.3
[M+Na]+ 243.01987 155.6
[M-H]- 219.02337 150.3
[M+NH4]+ 238.06447 161.6
[M+K]+ 258.99381 153.2
[M+H-H2O]+ 203.02791 137.3
[M+HCOO]- 265.02885 163.2
[M+CH3COO]- 279.04450 158.3
[M+Na-2H]- 241.00532 147.7
[M]+ 220.03010 149.6
[M]- 220.03120 149.6
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

No patent data available for this compound.