CID 11116060

Ethanolamine sulfite

Structural Information

Molecular Formula
C2H7NO3S
SMILES
C(COS(=O)O)N
InChI
InChI=1S/C2H7NO3S/c3-1-2-6-7(4)5/h1-3H2,(H,4,5)
InChIKey
SIRDFLZSHLLVIP-UHFFFAOYSA-N
Compound name
2-aminoethyl hydrogen sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

125.01466 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.021936 120.7
[M+Na]+ 148.003878 127.9
[M-H]- 124.007384 119.5
[M+NH4]+ 143.048483 141.9
[M+K]+ 163.977818 127.2
[M+H-H2O]+ 108.011920 115.8
[M+HCOO]- 170.012861 138.8
[M+CH3COO]- 184.028511 166.5
[M+Na-2H]- 145.989326 123.7
[M]+ 125.01411142 121.6
[M]- 125.01520858 121.6
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

patents stripe