CID 3050364

66287-68-1

Structural Information

Molecular Formula
C17H27NO4
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C2OCCCO2)O
InChI
InChI=1S/C17H27NO4/c1-17(2,3)18-11-13(19)12-22-15-8-5-4-7-14(15)16-20-9-6-10-21-16/h4-5,7-8,13,16,18-19H,6,9-12H2,1-3H3
InChIKey
ITRIMPJXCGDRRC-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(1,3-dioxan-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.201276 176.0
[M+Na]+ 332.183218 177.9
[M-H]- 308.186724 181.2
[M+NH4]+ 327.227823 186.6
[M+K]+ 348.157158 178.3
[M+H-H2O]+ 292.191260 168.2
[M+HCOO]- 354.192201 190.9
[M+CH3COO]- 368.207851 204.9
[M+Na-2H]- 330.168666 180.2
[M]+ 309.19345142 175.5
[M]- 309.19454858 175.5
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.