CID 212755

24839-37-0

Structural Information

Molecular Formula
C12H17N2OS
SMILES
C[N+](C)(C)CCOC1=NSC2=CC=CC=C21
InChI
InChI=1S/C12H17N2OS/c1-14(2,3)8-9-15-12-10-6-4-5-7-11(10)16-13-12/h4-7H,8-9H2,1-3H3/q+1
InChIKey
XRWQDEMNGZIDLN-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11344 149.7
[M+Na]+ 260.09538 159.3
[M-H]- 236.09888 155.3
[M+NH4]+ 255.13998 170.5
[M+K]+ 276.06932 151.2
[M+H-H2O]+ 220.10342 146.1
[M+HCOO]- 282.10436 169.8
[M+CH3COO]- 296.12001 188.3
[M+Na-2H]- 258.08083 158.4
[M]+ 237.10561 155.1
[M]- 237.10671 155.1
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.