CID 3048820

1h-indenemethanol, 2,3-dihydro-alpha-(1-((3-(2-methoxyethoxy)propyl)amino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCCOCCOC
InChI
InChI=1S/C18H29NO3/c1-14(19-9-4-10-22-12-11-21-2)18(20)17-8-7-15-5-3-6-16(15)13-17/h7-8,13-14,18-20H,3-6,9-12H2,1-2H3
InChIKey
JMIIAUOITVMXIK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethoxy)propylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 177.4
[M+Na]+ 330.203968 179.8
[M-H]- 306.207474 178.9
[M+NH4]+ 325.248573 193.7
[M+K]+ 346.177908 177.1
[M+H-H2O]+ 290.212010 170.3
[M+HCOO]- 352.212951 196.1
[M+CH3COO]- 366.228601 207.3
[M+Na-2H]- 328.189416 177.4
[M]+ 307.21420142 179.3
[M]- 307.21529858 179.3
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