CID 23010540

N-(3-aminopropyl)-n-ethylmethanesulfonamide

Structural Information

Molecular Formula
C6H16N2O2S
SMILES
CCN(CCCN)S(=O)(=O)C
InChI
InChI=1S/C6H16N2O2S/c1-3-8(6-4-5-7)11(2,9)10/h3-7H2,1-2H3
InChIKey
WUAVCOQSSHQHSJ-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-N-ethylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.09325 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.100526 138.4
[M+Na]+ 203.082468 144.7
[M-H]- 179.085974 139.6
[M+NH4]+ 198.127073 158.6
[M+K]+ 219.056408 144.0
[M+H-H2O]+ 163.090510 132.6
[M+HCOO]- 225.091451 157.6
[M+CH3COO]- 239.107101 186.1
[M+Na-2H]- 201.067916 141.4
[M]+ 180.09270142 141.1
[M]- 180.09379858 141.1
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.