CID 61274

Thiourea dioxide

Structural Information

Molecular Formula
CH4N2O2S
SMILES
C(=N)(N)S(=O)O
InChI
InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)
InChIKey
FYOWZTWVYZOZSI-UHFFFAOYSA-N
Compound name
amino(imino)methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

8271
Patents

107.99935 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.00663 116.9
[M+Na]+ 130.98857 123.8
[M-H]- 106.99207 115.8
[M+NH4]+ 126.03317 138.2
[M+K]+ 146.96251 122.6
[M+H-H2O]+ 90.996610 111.9
[M+HCOO]- 152.99755 135.0
[M+CH3COO]- 167.01320 165.7
[M+Na-2H]- 128.97402 119.4
[M]+ 107.99880 113.6
[M]- 107.99990 113.6
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.