CID 23562465

4-methanesulfonylbutan-2-amine

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CC(CCS(=O)(=O)C)N
InChI
InChI=1S/C5H13NO2S/c1-5(6)3-4-9(2,7)8/h5H,3-4,6H2,1-2H3
InChIKey
SZDACTNQFJOYSU-UHFFFAOYSA-N
Compound name
4-methylsulfonylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

35
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 132.6
[M+Na]+ 174.05592 140.5
[M+NH4]+ 169.10052 139.7
[M+K]+ 190.02986 135.3
[M-H]- 150.05942 131.1
[M+Na-2H]- 172.04137 134.5
[M]+ 151.06615 133.5
[M]- 151.06725 133.5
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