CID 22277805

2219379-29-8

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CNCCCS(=O)(=O)C
InChI
InChI=1S/C5H13NO2S/c1-6-4-3-5-9(2,7)8/h6H,3-5H2,1-2H3
InChIKey
HWICGHDJCTXYBB-UHFFFAOYSA-N
Compound name
N-methyl-3-methylsulfonylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

151.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07398 132.5
[M+Na]+ 174.05592 141.1
[M+NH4]+ 169.10052 139.9
[M+K]+ 190.02986 134.8
[M-H]- 150.05942 131.4
[M+Na-2H]- 172.04137 135.2
[M]+ 151.06615 133.6
[M]- 151.06725 133.6
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