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

4
Patents

293.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 166.8
[M+Na]+ 316.188318 172.4
[M-H]- 292.191824 172.2
[M+NH4]+ 311.232923 176.8
[M+K]+ 332.162258 169.0
[M+H-H2O]+ 276.196360 159.8
[M+HCOO]- 338.197301 187.0
[M+CH3COO]- 352.212951 206.3
[M+Na-2H]- 314.173766 170.5
[M]+ 293.19855142 171.7
[M]- 293.19964858 171.7
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