CID 601008

50850-93-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)

InChIKey

VYJSGJXWKSDUSG-UHFFFAOYSA-N

Compound name

ethyl 2-amino-1,3-benzothiazole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 400
Patents: 222.0463 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.05358	145.9
[M+Na]+	245.03552	157.6
[M+NH4]+	240.08012	154.3
[M+K]+	261.00946	151.8
[M-H]-	221.03902	147.7
[M+Na-2H]-	243.02097	151.0
[M]+	222.04575	148.4
[M]-	222.04685	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe