CID 135413443

1396994-80-1

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CC(C(=O)O)N=C1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C10H10N2O4S/c1-6(10(13)14)11-9-7-4-2-3-5-8(7)17(15,16)12-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKey
FXIGPASFALLPHG-UHFFFAOYSA-N
Compound name
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.03613 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04341 151.1
[M+Na]+ 277.02535 160.0
[M-H]- 253.02885 153.4
[M+NH4]+ 272.06995 171.0
[M+K]+ 292.99929 156.7
[M+H-H2O]+ 237.03339 146.3
[M+HCOO]- 299.03433 166.9
[M+CH3COO]- 313.04998 189.0
[M+Na-2H]- 275.01080 154.1
[M]+ 254.03558 152.7
[M]- 254.03668 152.7
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

No patent data available for this compound.