CID 3042826

3-chromanamine, n-(2-phenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1C(COC2=CC=CC=C21)NCCOC3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-2-7-16(8-3-1)19-11-10-18-15-12-14-6-4-5-9-17(14)20-13-15/h1-9,15,18H,10-13H2
InChIKey
MTOANEYQWOSQQS-UHFFFAOYSA-N
Compound name
N-(2-phenoxyethyl)-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 160.5
[M+Na]+ 292.130788 165.2
[M-H]- 268.134294 167.6
[M+NH4]+ 287.175393 175.6
[M+K]+ 308.104728 162.3
[M+H-H2O]+ 252.138830 151.9
[M+HCOO]- 314.139771 181.3
[M+CH3COO]- 328.155421 171.6
[M+Na-2H]- 290.116236 168.6
[M]+ 269.14102142 159.5
[M]- 269.14211858 159.5
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.