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]+ 209.07431 141.0
[M+Na]+ 231.05625 151.1
[M-H]- 207.05975 145.1
[M+NH4]+ 226.10085 162.3
[M+K]+ 247.03019 147.7
[M+H-H2O]+ 191.06429 134.8
[M+HCOO]- 253.06523 162.3
[M+CH3COO]- 267.08088 185.8
[M+Na-2H]- 229.04170 147.1
[M]+ 208.06648 146.4
[M]- 208.06758 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.