CID 18504699

101084-95-1

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CC2=C(C=C1C(=O)O)N=C(S2)N
InChI
InChI=1S/C8H6N2O2S/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChIKey
RPSPJTVLMPMYKL-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzothiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

194.015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 136.1
[M+Na]+ 217.00422 147.1
[M-H]- 193.00772 138.9
[M+NH4]+ 212.04882 156.9
[M+K]+ 232.97816 143.3
[M+H-H2O]+ 177.01226 130.8
[M+HCOO]- 239.01320 155.1
[M+CH3COO]- 253.02885 179.9
[M+Na-2H]- 214.98967 140.0
[M]+ 194.01445 138.4
[M]- 194.01555 138.4
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