CID 165941210

2-{4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1OC2=C(O1)C=C3C(=C2)NC(=N3)CCN
InChI
InChI=1S/C10H11N3O2/c11-2-1-10-12-6-3-8-9(15-5-14-8)4-7(6)13-10/h3-4H,1-2,5,11H2,(H,12,13)
InChIKey
VUFVCJHWYXLTCB-UHFFFAOYSA-N
Compound name
2-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 140.4
[M+Na]+ 228.07435 150.8
[M-H]- 204.07785 143.6
[M+NH4]+ 223.11895 158.9
[M+K]+ 244.04829 148.9
[M+H-H2O]+ 188.08239 134.4
[M+HCOO]- 250.08333 160.8
[M+CH3COO]- 264.09898 153.8
[M+Na-2H]- 226.05980 147.5
[M]+ 205.08458 142.4
[M]- 205.08568 142.4
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.