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]+ 284.18562 168.7
[M+Na]+ 306.16756 172.2
[M-H]- 282.17106 170.0
[M+NH4]+ 301.21216 183.3
[M+K]+ 322.14150 171.2
[M+H-H2O]+ 266.17560 161.2
[M+HCOO]- 328.17654 189.6
[M+CH3COO]- 342.19219 202.7
[M+Na-2H]- 304.15301 170.3
[M]+ 283.17779 172.9
[M]- 283.17889 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.