CID 61274

Thiourea s,s-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

7058
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

literature stripe

Patent stripe

patents stripe