CID 88203931

Ns00120484

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CC(=O)OS(=O)(=O)CCN
InChI
InChI=1S/C4H9NO4S/c1-4(6)9-10(7,8)3-2-5/h2-3,5H2,1H3
InChIKey
BPQOECCUYZOWGU-UHFFFAOYSA-N
Compound name
2-aminoethylsulfonyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

167.02522 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032496 131.1
[M+Na]+ 190.014438 138.8
[M-H]- 166.017944 131.3
[M+NH4]+ 185.059043 151.4
[M+K]+ 205.988378 138.2
[M+H-H2O]+ 150.022480 126.2
[M+HCOO]- 212.023421 149.3
[M+CH3COO]- 226.039071 175.0
[M+Na-2H]- 187.999886 134.6
[M]+ 167.02467142 134.2
[M]- 167.02576858 134.2
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