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]+ 255.04341 163.1
[M+Na]+ 277.02535 171.8
[M-H]- 253.02885 165.5
[M+NH4]+ 272.06995 177.5
[M+K]+ 292.99929 169.0
[M+H-H2O]+ 237.03339 150.5
[M+HCOO]- 299.03433 176.8
[M+CH3COO]- 313.04998 201.2
[M+Na-2H]- 275.01080 165.6
[M]+ 254.03558 160.0
[M]- 254.03668 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.