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]+ 195.022276 136.1
[M+Na]+ 217.004218 147.1
[M-H]- 193.007724 138.9
[M+NH4]+ 212.048823 156.9
[M+K]+ 232.978158 143.3
[M+H-H2O]+ 177.012260 130.8
[M+HCOO]- 239.013201 155.1
[M+CH3COO]- 253.028851 179.9
[M+Na-2H]- 214.989666 140.0
[M]+ 194.01445142 138.4
[M]- 194.01554858 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