CID 314432

Nsc231890

Structural Information

Molecular Formula
C12H16O4
SMILES
C1C(C(C(CO1)OCC2=CC=CC=C2)O)O
InChI
InChI=1S/C12H16O4/c13-10-7-15-8-11(12(10)14)16-6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKey
RANXZJAPWYSNOD-UHFFFAOYSA-N
Compound name
5-phenylmethoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 148.4
[M+Na]+ 247.09408 153.6
[M-H]- 223.09758 152.6
[M+NH4]+ 242.13868 163.7
[M+K]+ 263.06802 152.3
[M+H-H2O]+ 207.10212 141.7
[M+HCOO]- 269.10306 166.1
[M+CH3COO]- 283.11871 182.6
[M+Na-2H]- 245.07953 153.2
[M]+ 224.10431 146.0
[M]- 224.10541 146.0
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.