CID 3047496

Sl-d.231

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)OCC2CC2)O
InChI
InChI=1S/C17H27NO3/c1-17(2,3)18-10-14(19)12-21-16-8-6-15(7-9-16)20-11-13-4-5-13/h6-9,13-14,18-19H,4-5,10-12H2,1-3H3
InChIKey
CXWINRXVQAYXIB-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[4-(cyclopropylmethoxy)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 171.2
[M+Na]+ 316.18832 181.8
[M+NH4]+ 311.23292 178.4
[M+K]+ 332.16226 177.9
[M-H]- 292.19182 180.0
[M+Na-2H]- 314.17377 178.7
[M]+ 293.19855 176.2
[M]- 293.19965 176.2
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