CID 120149

29197-94-2

Structural Information

Molecular Formula
C11H11NO5S
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NCS(=O)(=O)O
InChI
InChI=1S/C11H11NO5S/c1-7-4-11(13)17-10-5-8(2-3-9(7)10)12-6-18(14,15)16/h2-5,12H,6H2,1H3,(H,14,15,16)
InChIKey
URKFUZQRENRKCZ-UHFFFAOYSA-N
Compound name
[(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

269.0358 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04308 153.0
[M+Na]+ 292.02502 163.0
[M-H]- 268.02852 157.8
[M+NH4]+ 287.06962 169.0
[M+K]+ 307.99896 160.4
[M+H-H2O]+ 252.03306 147.2
[M+HCOO]- 314.03400 170.2
[M+CH3COO]- 328.04965 193.5
[M+Na-2H]- 290.01047 160.7
[M]+ 269.03525 158.4
[M]- 269.03635 158.4
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