CID 16767546

926241-64-7

Structural Information

Molecular Formula
C10H11NO5S
SMILES
CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO5S/c1-17(14,15)11-6-9(10(12)13)16-8-5-3-2-4-7(8)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKey
IRHUTUSIVLDLCK-UHFFFAOYSA-N
Compound name
4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04308 152.2
[M+Na]+ 280.02502 162.8
[M+NH4]+ 275.06962 158.4
[M+K]+ 295.99896 158.0
[M-H]- 256.02852 152.4
[M+Na-2H]- 278.01047 154.8
[M]+ 257.03525 154.0
[M]- 257.03635 154.0
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.