CID 54593156

1-methanesulfonylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C4H11NO2S
SMILES
CC(CS(=O)(=O)C)N
InChI
InChI=1S/C4H11NO2S/c1-4(5)3-8(2,6)7/h4H,3,5H2,1-2H3
InChIKey
NKJASCWYRCSSQE-UHFFFAOYSA-N
Compound name
1-methylsulfonylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

137.05106 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05834 126.0
[M+Na]+ 160.04028 133.7
[M-H]- 136.04378 126.3
[M+NH4]+ 155.08488 147.7
[M+K]+ 176.01422 132.7
[M+H-H2O]+ 120.04832 121.5
[M+HCOO]- 182.04926 143.5
[M+CH3COO]- 196.06491 172.4
[M+Na-2H]- 158.02573 129.2
[M]+ 137.05051 127.0
[M]- 137.05161 127.0
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