CID 28265144

2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)(C1=CC2=C(C=C1)OCCO2)N
InChI
InChI=1S/C11H15NO2/c1-11(2,12)8-3-4-9-10(7-8)14-6-5-13-9/h3-4,7H,5-6,12H2,1-2H3
InChIKey
YPFDLRYEJXXVQK-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.8
[M+Na]+ 216.09950 148.5
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 159.3
[M+K]+ 232.07344 148.7
[M+H-H2O]+ 176.10754 136.0
[M+HCOO]- 238.10848 160.1
[M+CH3COO]- 252.12413 185.4
[M+Na-2H]- 214.08495 151.3
[M]+ 193.10973 140.7
[M]- 193.11083 140.7
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.