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]+ 183.058666 136.5
[M+Na]+ 205.040608 146.4
[M-H]- 181.044114 138.7
[M+NH4]+ 200.085213 157.7
[M+K]+ 221.014548 143.7
[M+H-H2O]+ 165.048650 130.5
[M+HCOO]- 227.049591 152.0
[M+CH3COO]- 241.065241 149.8
[M+Na-2H]- 203.026056 139.1
[M]+ 182.05084142 137.8
[M]- 182.05193858 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.