CID 3761548

684217-25-2

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CC(OC1)CNC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2,(H,13,14)
InChIKey
ZBYZZQOXZMQOCI-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

234.08269 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.089966 148.1
[M+Na]+ 257.071908 157.2
[M-H]- 233.075414 155.8
[M+NH4]+ 252.116513 168.6
[M+K]+ 273.045848 154.7
[M+H-H2O]+ 217.079950 142.3
[M+HCOO]- 279.080891 167.8
[M+CH3COO]- 293.096541 161.7
[M+Na-2H]- 255.057356 151.6
[M]+ 234.08214142 150.7
[M]- 234.08323858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.