CID 15482053

119225-23-9

Structural Information

Molecular Formula
C10H13NO5S
SMILES
C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)O
InChI
InChI=1S/C10H13NO5S/c12-10(11-6-7-17(13,14)15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)(H,13,14,15)
InChIKey
GYGORJGOOCHDDL-UHFFFAOYSA-N
Compound name
2-(phenylmethoxycarbonylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

259.05145 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 155.4
[M+Na]+ 282.04067 163.6
[M+NH4]+ 277.08527 160.7
[M+K]+ 298.01461 158.4
[M-H]- 258.04417 154.4
[M+Na-2H]- 280.02612 159.1
[M]+ 259.05090 156.3
[M]- 259.05200 156.3
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