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

2
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 141.8
[M+Na]+ 216.099498 148.5
[M-H]- 192.103004 146.9
[M+NH4]+ 211.144103 159.3
[M+K]+ 232.073438 148.7
[M+H-H2O]+ 176.107540 136.0
[M+HCOO]- 238.108481 160.1
[M+CH3COO]- 252.124131 185.4
[M+Na-2H]- 214.084946 151.3
[M]+ 193.10973142 140.7
[M]- 193.11082858 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

patents stripe