CID 59559064

28200-39-7

Structural Information

Molecular Formula
C4H11NO2S2
SMILES
CSCCNS(=O)(=O)C
InChI
InChI=1S/C4H11NO2S2/c1-8-4-3-5-9(2,6)7/h5H,3-4H2,1-2H3
InChIKey
YLNMXTHHTRKMNU-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.02312 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03040 132.5
[M+Na]+ 192.01234 140.0
[M-H]- 168.01584 132.7
[M+NH4]+ 187.05694 153.0
[M+K]+ 207.98628 137.0
[M+H-H2O]+ 152.02038 127.2
[M+HCOO]- 214.02132 145.5
[M+CH3COO]- 228.03697 177.3
[M+Na-2H]- 189.99779 135.3
[M]+ 169.02257 135.5
[M]- 169.02367 135.5
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