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]+ 181.10053 138.4
[M+Na]+ 203.08247 144.7
[M-H]- 179.08597 139.6
[M+NH4]+ 198.12707 158.6
[M+K]+ 219.05641 144.0
[M+H-H2O]+ 163.09051 132.6
[M+HCOO]- 225.09145 157.6
[M+CH3COO]- 239.10710 186.1
[M+Na-2H]- 201.06792 141.4
[M]+ 180.09270 141.1
[M]- 180.09380 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.