CID 83871749

2-methyl-2h,4h,6h,7h-thiopyrano[4,3-c]pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CN1C(=C2CSCCC2=N1)C=O
InChI
InChI=1S/C8H10N2OS/c1-10-8(4-11)6-5-12-3-2-7(6)9-10/h4H,2-3,5H2,1H3
InChIKey
HDIYXQWXGUPIED-UHFFFAOYSA-N
Compound name
2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 136.5
[M+Na]+ 205.04061 146.4
[M-H]- 181.04411 138.7
[M+NH4]+ 200.08521 157.7
[M+K]+ 221.01455 143.7
[M+H-H2O]+ 165.04865 130.5
[M+HCOO]- 227.04959 152.0
[M+CH3COO]- 241.06524 149.8
[M+Na-2H]- 203.02606 139.1
[M]+ 182.05084 137.8
[M]- 182.05194 137.8
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.