CID 28316354

2-{10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl}ethan-1-amine dihydrochloride

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 145.4
[M+Na]+ 242.08999 154.6
[M-H]- 218.09349 147.9
[M+NH4]+ 237.13459 161.4
[M+K]+ 258.06393 152.2
[M+H-H2O]+ 202.09803 138.2
[M+HCOO]- 264.09897 163.2
[M+CH3COO]- 278.11462 157.6
[M+Na-2H]- 240.07544 153.7
[M]+ 219.10022 145.5
[M]- 219.10132 145.5
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.