CID 3856040

(2-methanesulfonylethyl)(methyl)amine

Structural Information

Molecular Formula
C4H11NO2S
SMILES
CNCCS(=O)(=O)C
InChI
InChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3
InChIKey
GCPNZCTVVWEQKX-UHFFFAOYSA-N
Compound name
N-methyl-2-methylsulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

137.05106 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.058336 125.6
[M+Na]+ 160.040278 133.5
[M-H]- 136.043784 126.4
[M+NH4]+ 155.084883 147.6
[M+K]+ 176.014218 132.5
[M+H-H2O]+ 120.048320 121.0
[M+HCOO]- 182.049261 144.7
[M+CH3COO]- 196.064911 172.3
[M+Na-2H]- 158.025726 130.9
[M]+ 137.05051142 128.2
[M]- 137.05160858 128.2
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