CID 4445158

Methyl 2-aminobenzo[d]thiazole-4-carboxylate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
COC(=O)C1=C2C(=CC=C1)SC(=N2)N
InChI
InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11)
InChIKey
JWSQSUAAMGQUJI-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-benzothiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.8
[M+Na]+ 231.01987 151.9
[M-H]- 207.02337 145.0
[M+NH4]+ 226.06447 161.9
[M+K]+ 246.99381 148.8
[M+H-H2O]+ 191.02791 135.0
[M+HCOO]- 253.02885 161.1
[M+CH3COO]- 267.04450 184.7
[M+Na-2H]- 229.00532 144.6
[M]+ 208.03010 145.2
[M]- 208.03120 145.2
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