CID 70223

2-aminoethyl hydrogen sulfate

Structural Information

Molecular Formula
C2H7NO4S
SMILES
C(COS(=O)(=O)O)N
InChI
InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
InChIKey
WSYUEVRAMDSJKL-UHFFFAOYSA-N
Compound name
2-aminoethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

68
References

2377
Patents

141.00958 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.01686 123.4
[M+Na]+ 163.99880 131.4
[M-H]- 140.00230 122.3
[M+NH4]+ 159.04340 143.9
[M+K]+ 179.97274 130.3
[M+H-H2O]+ 124.00684 118.8
[M+HCOO]- 186.00778 141.4
[M+CH3COO]- 200.02343 167.2
[M+Na-2H]- 161.98425 128.5
[M]+ 141.00903 125.1
[M]- 141.01013 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe