CID 3051470

1-(diallylamino)-3-(4-indanyloxy)-2-propanol

Structural Information

Molecular Formula
C18H25NO2
SMILES
C=CCN(CC=C)CC(COC1=CC=CC2=C1CCC2)O
InChI
InChI=1S/C18H25NO2/c1-3-11-19(12-4-2)13-16(20)14-21-18-10-6-8-15-7-5-9-17(15)18/h3-4,6,8,10,16,20H,1-2,5,7,9,11-14H2
InChIKey
DOROOFWHTQYTAZ-UHFFFAOYSA-N
Compound name
1-[bis(prop-2-enyl)amino]-3-(2,3-dihydro-1H-inden-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 172.5
[M+Na]+ 310.17776 176.1
[M-H]- 286.18126 175.5
[M+NH4]+ 305.22236 190.3
[M+K]+ 326.15170 172.3
[M+H-H2O]+ 270.18580 165.4
[M+HCOO]- 332.18674 192.9
[M+CH3COO]- 346.20239 206.2
[M+Na-2H]- 308.16321 172.7
[M]+ 287.18799 173.4
[M]- 287.18909 173.4
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.