CID 9576668

3-(p-(4-hydroxyiminobutyryl)phenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C13H17NO5
SMILES
C1=CC(=CC=C1C(=O)CC/C=N/O)OC(CO)CO
InChI
InChI=1S/C13H17NO5/c15-8-12(9-16)19-11-5-3-10(4-6-11)13(17)2-1-7-14-18/h3-7,12,15-16,18H,1-2,8-9H2/b14-7+
InChIKey
RMTRPAVJJANALK-VGOFMYFVSA-N
Compound name
(4E)-1-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-4-hydroxyiminobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 160.9
[M+Na]+ 290.09992 169.0
[M+NH4]+ 285.14452 165.5
[M+K]+ 306.07386 165.3
[M-H]- 266.10342 159.8
[M+Na-2H]- 288.08537 163.5
[M]+ 267.11015 161.2
[M]- 267.11125 161.2
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.