CID 3063567

Brn 3374201

Structural Information

Molecular Formula
C15H25NO4
SMILES
CCN(CC)CCOC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C15H25NO4/c1-3-16(4-2)9-10-19-14-7-5-6-8-15(14)20-12-13(18)11-17/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKey
QAONXFQRPLAWNL-UHFFFAOYSA-N
Compound name
3-[2-[2-(diethylamino)ethoxy]phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 168.7
[M+Na]+ 306.167558 172.2
[M-H]- 282.171064 170.0
[M+NH4]+ 301.212163 183.3
[M+K]+ 322.141498 171.2
[M+H-H2O]+ 266.175600 161.2
[M+HCOO]- 328.176541 189.6
[M+CH3COO]- 342.192191 202.7
[M+Na-2H]- 304.153006 170.3
[M]+ 283.17779142 172.9
[M]- 283.17888858 172.9
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.