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]+ 223.05358 145.3
[M+Na]+ 245.03552 154.7
[M-H]- 221.03902 149.5
[M+NH4]+ 240.08012 165.6
[M+K]+ 261.00946 152.3
[M+H-H2O]+ 205.04356 139.1
[M+HCOO]- 267.04450 164.8
[M+CH3COO]- 281.06015 188.7
[M+Na-2H]- 243.02097 149.3
[M]+ 222.04575 150.2
[M]- 222.04685 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.