CID 43519496

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1COC2=C(O1)C=CC(=C2)C(CN)N
InChI
InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2
InChIKey
OEFHGMCGKZAGBL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.8
[M+Na]+ 217.09475 148.3
[M-H]- 193.09825 147.2
[M+NH4]+ 212.13935 159.3
[M+K]+ 233.06869 148.3
[M+H-H2O]+ 177.10279 136.1
[M+HCOO]- 239.10373 162.3
[M+CH3COO]- 253.11938 187.5
[M+Na-2H]- 215.08020 150.0
[M]+ 194.10498 139.5
[M]- 194.10608 139.5
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.