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]+ 256.154336 159.5
[M+Na]+ 278.136278 163.9
[M-H]- 254.139784 161.2
[M+NH4]+ 273.180883 175.3
[M+K]+ 294.110218 163.3
[M+H-H2O]+ 238.144320 152.4
[M+HCOO]- 300.145261 181.1
[M+CH3COO]- 314.160911 196.7
[M+Na-2H]- 276.121726 162.1
[M]+ 255.14651142 163.0
[M]- 255.14760858 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.