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]+ 152.073976 130.5
[M+Na]+ 174.055918 137.7
[M-H]- 150.059424 130.6
[M+NH4]+ 169.100523 151.6
[M+K]+ 190.029858 136.6
[M+H-H2O]+ 134.063960 125.8
[M+HCOO]- 196.064901 147.6
[M+CH3COO]- 210.080551 175.5
[M+Na-2H]- 172.041366 133.2
[M]+ 151.06615142 131.9
[M]- 151.06724858 131.9
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