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 166.8
[M+Na]+ 316.18832 172.4
[M-H]- 292.19182 172.2
[M+NH4]+ 311.23292 176.8
[M+K]+ 332.16226 169.0
[M+H-H2O]+ 276.19636 159.8
[M+HCOO]- 338.19730 187.0
[M+CH3COO]- 352.21295 206.3
[M+Na-2H]- 314.17377 170.5
[M]+ 293.19855 171.7
[M]- 293.19965 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