CID 28316354

2639453-45-3

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1COC2=C(O1)C=C3C(=C2)N=C(N3)CCN
InChI
InChI=1S/C11H13N3O2/c12-2-1-11-13-7-5-9-10(6-8(7)14-11)16-4-3-15-9/h5-6H,1-4,12H2,(H,13,14)
InChIKey
IBIHUSDGFBEBTI-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.10077 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.8
[M+Na]+ 242.08999 159.4
[M+NH4]+ 237.13459 154.8
[M+K]+ 258.06393 155.8
[M-H]- 218.09349 150.9
[M+Na-2H]- 240.07544 150.3
[M]+ 219.10022 149.6
[M]- 219.10132 149.6
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.