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]+ 180.10528 139.1
[M+Na]+ 202.08722 145.5
[M-H]- 178.09072 139.4
[M+NH4]+ 197.13182 159.4
[M+K]+ 218.06116 144.2
[M+H-H2O]+ 162.09526 134.0
[M+HCOO]- 224.09620 156.2
[M+CH3COO]- 238.11185 182.2
[M+Na-2H]- 200.07267 141.9
[M]+ 179.09745 142.2
[M]- 179.09855 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.