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]+ 180.105276 139.5
[M+Na]+ 202.087218 146.5
[M-H]- 178.090724 139.5
[M+NH4]+ 197.131823 159.7
[M+K]+ 218.061158 144.8
[M+H-H2O]+ 162.095260 135.0
[M+HCOO]- 224.096201 155.6
[M+CH3COO]- 238.111851 181.1
[M+Na-2H]- 200.072666 143.3
[M]+ 179.09745142 141.7
[M]- 179.09854858 141.7
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.