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]+ 226.074376 147.0
[M+Na]+ 248.056318 152.3
[M-H]- 224.059824 145.6
[M+NH4]+ 243.100923 164.1
[M+K]+ 264.030258 151.5
[M+H-H2O]+ 208.064360 141.5
[M+HCOO]- 270.065301 162.5
[M+CH3COO]- 284.080951 185.9
[M+Na-2H]- 246.041766 148.8
[M]+ 225.06655142 151.1
[M]- 225.06764858 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.