CID 169286

Fluopin c

Structural Information

Molecular Formula
C2H4NOS
SMILES
CN(C=S)[O-]
InChI
InChI=1S/C2H4NOS/c1-3(4)2-5/h2H,1H3/q-1
InChIKey
VQUFUGOOIORICV-UHFFFAOYSA-N
Compound name
N-methyl-N-oxidomethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

90.00136 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.008636 113.0
[M+Na]+ 112.99058 121.0
[M-H]- 88.994084 113.8
[M+NH4]+ 108.03518 136.8
[M+K]+ 128.96452 122.0
[M+H-H2O]+ 72.998620 110.6
[M+HCOO]- 134.99956 133.7
[M+CH3COO]- 149.01521 165.1
[M+Na-2H]- 110.97603 116.9
[M]+ 90.000811 113.5
[M]- 90.001909 113.5
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.