CID 22936175

2-(ethylsulfamoyl)acetic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CCNS(=O)(=O)CC(=O)O
InChI
InChI=1S/C4H9NO4S/c1-2-5-10(8,9)3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
ZUTJQXSCGYUTPC-UHFFFAOYSA-N
Compound name
2-(ethylsulfamoyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.02522 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03250 131.1
[M+Na]+ 190.01444 138.2
[M-H]- 166.01794 130.3
[M+NH4]+ 185.05904 150.7
[M+K]+ 205.98838 137.0
[M+H-H2O]+ 150.02248 126.3
[M+HCOO]- 212.02342 148.3
[M+CH3COO]- 226.03907 173.8
[M+Na-2H]- 187.99989 135.1
[M]+ 167.02467 133.3
[M]- 167.02577 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe