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]+ 235.08997 148.1
[M+Na]+ 257.07191 157.2
[M-H]- 233.07541 155.8
[M+NH4]+ 252.11651 168.6
[M+K]+ 273.04585 154.7
[M+H-H2O]+ 217.07995 142.3
[M+HCOO]- 279.08089 167.8
[M+CH3COO]- 293.09654 161.7
[M+Na-2H]- 255.05736 151.6
[M]+ 234.08214 150.7
[M]- 234.08324 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.