CID 3065241

Brn 3316588

Structural Information

Molecular Formula
C13H21NO4
SMILES
CN(C)CCOC1=CC=C(C=C1)OCC(CO)O
InChI
InChI=1S/C13H21NO4/c1-14(2)7-8-17-12-3-5-13(6-4-12)18-10-11(16)9-15/h3-6,11,15-16H,7-10H2,1-2H3
InChIKey
XYBYYWUCKUBVPV-UHFFFAOYSA-N
Compound name
3-[4-[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 159.2
[M+Na]+ 278.13628 168.2
[M+NH4]+ 273.18088 165.3
[M+K]+ 294.11022 163.9
[M-H]- 254.13978 159.7
[M+Na-2H]- 276.12173 163.1
[M]+ 255.14651 160.3
[M]- 255.14761 160.3
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.