CID 56828540

3-(aminomethyl)-3-methanesulfonylpentane

Structural Information

Molecular Formula
C7H17NO2S
SMILES
CCC(CC)(CN)S(=O)(=O)C
InChI
InChI=1S/C7H17NO2S/c1-4-7(5-2,6-8)11(3,9)10/h4-6,8H2,1-3H3
InChIKey
MRVFJNVEYZQCKW-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylsulfonylbutan-1-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 142.4
[M+Na]+ 202.08722 149.9
[M+NH4]+ 197.13182 149.0
[M+K]+ 218.06116 144.6
[M-H]- 178.09072 140.3
[M+Na-2H]- 200.07267 144.0
[M]+ 179.09745 143.1
[M]- 179.09855 143.1
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.