CID 101958

2-(ethylamino)ethyl hydrogen sulfate

Structural Information

Molecular Formula

C₄H₁₁NO₄S

SMILES

CCNCCOS(=O)(=O)O

InChI

InChI=1S/C4H11NO4S/c1-2-5-3-4-9-10(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)

InChIKey

NDICMYVRYUEIEM-UHFFFAOYSA-N

Compound name

2-(ethylamino)ethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.04088 Da
Monoisotopic Mass: -3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.04816	131.9
[M+Na]+	192.03010	139.1
[M-H]-	168.03360	131.0
[M+NH4]+	187.07470	151.7
[M+K]+	208.00404	137.9
[M+H-H2O]+	152.03814	127.0
[M+HCOO]-	214.03908	150.0
[M+CH3COO]-	228.05473	173.9
[M+Na-2H]-	190.01555	137.1
[M]+	169.04033	135.5
[M]-	169.04143	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe