CID 54593046

[1-(ethanesulfonyl)propan-2-yl](ethyl)amine

Structural Information

Molecular Formula
C7H17NO2S
SMILES
CCNC(C)CS(=O)(=O)CC
InChI
InChI=1S/C7H17NO2S/c1-4-8-7(3)6-11(9,10)5-2/h7-8H,4-6H2,1-3H3
InChIKey
ONINZFLRQKPHGB-UHFFFAOYSA-N
Compound name
N-ethyl-1-ethylsulfonylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.098 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.105276 139.1
[M+Na]+ 202.087218 145.5
[M-H]- 178.090724 139.4
[M+NH4]+ 197.131823 159.4
[M+K]+ 218.061158 144.2
[M+H-H2O]+ 162.095260 134.0
[M+HCOO]- 224.096201 156.2
[M+CH3COO]- 238.111851 182.2
[M+Na-2H]- 200.072666 141.9
[M]+ 179.09745142 142.2
[M]- 179.09854858 142.2
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.