CID 13588759

104344-92-5

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CN(CC(=O)O)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H10N2O2S/c1-12(6-9(13)14)10-11-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3,(H,13,14)
InChIKey
USYIIHFJNNAEMI-UHFFFAOYSA-N
Compound name
2-[1,3-benzothiazol-2-yl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 145.3
[M+Na]+ 245.035518 154.7
[M-H]- 221.039024 149.5
[M+NH4]+ 240.080123 165.6
[M+K]+ 261.009458 152.3
[M+H-H2O]+ 205.043560 139.1
[M+HCOO]- 267.044501 164.8
[M+CH3COO]- 281.060151 188.7
[M+Na-2H]- 243.020966 149.3
[M]+ 222.04575142 150.2
[M]- 222.04684858 150.2
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

No patent data available for this compound.