CID 9576663

3-(p-(hydroxyiminoacetyl)phenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C11H13NO5
SMILES
C1=CC(=CC=C1C(=O)/C=N/O)OC(CO)CO
InChI
InChI=1S/C11H13NO5/c13-6-10(7-14)17-9-3-1-8(2-4-9)11(15)5-12-16/h1-5,10,13-14,16H,6-7H2/b12-5+
InChIKey
FZMNOXWDHMGUIC-LFYBBSHMSA-N
Compound name
(2E)-1-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2-hydroxyiminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.7
[M+Na]+ 262.06860 156.1
[M-H]- 238.07210 151.4
[M+NH4]+ 257.11320 166.2
[M+K]+ 278.04254 154.5
[M+H-H2O]+ 222.07664 144.1
[M+HCOO]- 284.07758 172.1
[M+CH3COO]- 298.09323 188.2
[M+Na-2H]- 260.05405 154.1
[M]+ 239.07883 151.6
[M]- 239.07993 151.6
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.