CID 24257274

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

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCCN
InChI
InChI=1S/C11H15NO2/c12-5-1-2-9-3-4-10-11(8-9)14-7-6-13-10/h3-4,8H,1-2,5-7,12H2
InChIKey
UINPXLMOINWQDH-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.9
[M+Na]+ 216.09950 148.1
[M-H]- 192.10300 146.7
[M+NH4]+ 211.14410 159.3
[M+K]+ 232.07344 147.8
[M+H-H2O]+ 176.10754 135.4
[M+HCOO]- 238.10848 161.8
[M+CH3COO]- 252.12413 185.0
[M+Na-2H]- 214.08495 150.6
[M]+ 193.10973 141.3
[M]- 193.11083 141.3
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