CID 61058546

1216141-63-7

Structural Information

Molecular Formula
C4H10N2O2S
SMILES
CS(=O)(=O)CCC(=N)N
InChI
InChI=1S/C4H10N2O2S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKey
VAQQMLUTXQDTRN-UHFFFAOYSA-N
Compound name
3-methylsulfonylpropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.0463 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05358 128.8
[M+Na]+ 173.03552 135.8
[M-H]- 149.03902 128.9
[M+NH4]+ 168.08012 149.4
[M+K]+ 189.00946 134.0
[M+H-H2O]+ 133.04356 123.7
[M+HCOO]- 195.04450 147.3
[M+CH3COO]- 209.06015 176.4
[M+Na-2H]- 171.02097 132.3
[M]+ 150.04575 128.1
[M]- 150.04685 128.1
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

patents stripe