CID 2461344

556020-32-7

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NC2=CC3=C(C=C2N1)OCCO3
InChI
InChI=1S/C10H10N2O2/c1-6-11-7-4-9-10(5-8(7)12-6)14-3-2-13-9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
FKJSSWOXPYTQOL-UHFFFAOYSA-N
Compound name
2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

190.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 136.7
[M+Na]+ 213.06345 147.2
[M-H]- 189.06695 139.8
[M+NH4]+ 208.10805 154.5
[M+K]+ 229.03739 145.5
[M+H-H2O]+ 173.07149 130.0
[M+HCOO]- 235.07243 154.4
[M+CH3COO]- 249.08808 150.2
[M+Na-2H]- 211.04890 145.9
[M]+ 190.07368 137.9
[M]- 190.07478 137.9
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

patents stripe