CID 214530

33353-22-9

Structural Information

Molecular Formula
C10H12N2OS
SMILES
COCCNC1=NSC2=CC=CC=C21
InChI
InChI=1S/C10H12N2OS/c1-13-7-6-11-10-8-4-2-3-5-9(8)14-12-10/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
XWRWWFNVLUZWBL-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 141.0
[M+Na]+ 231.056248 151.1
[M-H]- 207.059754 145.1
[M+NH4]+ 226.100853 162.3
[M+K]+ 247.030188 147.7
[M+H-H2O]+ 191.064290 134.8
[M+HCOO]- 253.065231 162.3
[M+CH3COO]- 267.080881 185.8
[M+Na-2H]- 229.041696 147.1
[M]+ 208.06648142 146.4
[M]- 208.06757858 146.4
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

No patent data available for this compound.