CID 72110930

2-[2-(propan-2-yloxy)ethanesulfonamido]acetic acid

Structural Information

Molecular Formula
C7H15NO5S
SMILES
CC(C)OCCS(=O)(=O)NCC(=O)O
InChI
InChI=1S/C7H15NO5S/c1-6(2)13-3-4-14(11,12)8-5-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKey
HKNZJSOIUKMNGP-UHFFFAOYSA-N
Compound name
2-(2-propan-2-yloxyethylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0671 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07438 147.0
[M+Na]+ 248.05632 152.3
[M-H]- 224.05982 145.6
[M+NH4]+ 243.10092 164.1
[M+K]+ 264.03026 151.5
[M+H-H2O]+ 208.06436 141.5
[M+HCOO]- 270.06530 162.5
[M+CH3COO]- 284.08095 185.9
[M+Na-2H]- 246.04177 148.8
[M]+ 225.06655 151.1
[M]- 225.06765 151.1
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.