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]+ 180.105276 139.4
[M+Na]+ 202.087218 145.5
[M-H]- 178.090724 139.2
[M+NH4]+ 197.131823 159.3
[M+K]+ 218.061158 144.3
[M+H-H2O]+ 162.095260 134.4
[M+HCOO]- 224.096201 154.8
[M+CH3COO]- 238.111851 182.4
[M+Na-2H]- 200.072666 140.0
[M]+ 179.09745142 140.9
[M]- 179.09854858 140.9
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.