CID 3065242

Brn 3314454

Structural Information

Molecular Formula
C13H21NO4
SMILES
CN(C)CCOC1=CC(=CC=C1)OCC(CO)O
InChI
InChI=1S/C13H21NO4/c1-14(2)6-7-17-12-4-3-5-13(8-12)18-10-11(16)9-15/h3-5,8,11,15-16H,6-7,9-10H2,1-2H3
InChIKey
OYLYECTXYARGBZ-UHFFFAOYSA-N
Compound name
3-[3-[2-(dimethylamino)ethoxy]phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 159.5
[M+Na]+ 278.13628 163.9
[M-H]- 254.13978 161.2
[M+NH4]+ 273.18088 175.3
[M+K]+ 294.11022 163.3
[M+H-H2O]+ 238.14432 152.4
[M+HCOO]- 300.14526 181.1
[M+CH3COO]- 314.16091 196.7
[M+Na-2H]- 276.12173 162.1
[M]+ 255.14651 163.0
[M]- 255.14761 163.0
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.