CID 10129919

Methanediamine, 1-sulfonyl-

Structural Information

Molecular Formula
CH4N2O2S
SMILES
C(=S(=O)=O)(N)N
InChI
InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h2-3H2
InChIKey
KDZCMNKCNXVTIK-UHFFFAOYSA-N
Compound name
sulfonylmethanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6232
Patents

107.99935 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.00663 116.1
[M+Na]+ 130.98857 123.7
[M-H]- 106.99207 116.0
[M+NH4]+ 126.03317 137.9
[M+K]+ 146.96251 122.5
[M+H-H2O]+ 90.996610 111.0
[M+HCOO]- 152.99755 135.3
[M+CH3COO]- 167.01320 166.7
[M+Na-2H]- 128.97402 118.0
[M]+ 107.99880 113.1
[M]- 107.99990 113.1
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.