CID 3050364

1-tert-butylamino-3-(o-(1,3-dioxan-2-yl)phenoxy)-2-propanol maleate

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]+ 310.20128 176.0
[M+Na]+ 332.18322 177.9
[M-H]- 308.18672 181.2
[M+NH4]+ 327.22782 186.6
[M+K]+ 348.15716 178.3
[M+H-H2O]+ 292.19126 168.2
[M+HCOO]- 354.19220 190.9
[M+CH3COO]- 368.20785 204.9
[M+Na-2H]- 330.16867 180.2
[M]+ 309.19345 175.5
[M]- 309.19455 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.