CID 94451359

2227778-20-1

Structural Information

Molecular Formula
C7H17NO2S
SMILES
CC(C)C[C@@H](CS(=O)(=O)C)N
InChI
InChI=1S/C7H17NO2S/c1-6(2)4-7(8)5-11(3,9)10/h6-7H,4-5,8H2,1-3H3/t7-/m0/s1
InChIKey
QVZZETZFYSNNSK-ZETCQYMHSA-N
Compound name
(2S)-4-methyl-1-methylsulfonylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.098 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10528 141.3
[M+Na]+ 202.08722 148.4
[M+NH4]+ 197.13182 147.9
[M+K]+ 218.06116 143.5
[M-H]- 178.09072 139.4
[M+Na-2H]- 200.07267 142.3
[M]+ 179.09745 141.9
[M]- 179.09855 141.9
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

No patent data available for this compound.