CID 43361102

2-[(3-cyanophenyl)methanesulfonamido]acetic acid

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
C1=CC(=CC(=C1)C#N)CS(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H10N2O4S/c11-5-8-2-1-3-9(4-8)7-17(15,16)12-6-10(13)14/h1-4,12H,6-7H2,(H,13,14)
InChIKey
UIQJTDHCLLOOFQ-UHFFFAOYSA-N
Compound name
2-[(3-cyanophenyl)methylsulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03613 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.043406 163.1
[M+Na]+ 277.025348 171.8
[M-H]- 253.028854 165.5
[M+NH4]+ 272.069953 177.5
[M+K]+ 292.999288 169.0
[M+H-H2O]+ 237.033390 150.5
[M+HCOO]- 299.034331 176.8
[M+CH3COO]- 313.049981 201.2
[M+Na-2H]- 275.010796 165.6
[M]+ 254.03558142 160.0
[M]- 254.03667858 160.0
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.