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
2
Annotation Hits

13
References

5883
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 113.0
[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

literature stripe

Patent stripe

patents stripe