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]+ 308.22203 177.4
[M+Na]+ 330.20397 179.8
[M-H]- 306.20747 178.9
[M+NH4]+ 325.24857 193.7
[M+K]+ 346.17791 177.1
[M+H-H2O]+ 290.21201 170.3
[M+HCOO]- 352.21295 196.1
[M+CH3COO]- 366.22860 207.3
[M+Na-2H]- 328.18942 177.4
[M]+ 307.21420 179.3
[M]- 307.21530 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