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]+ 225.112136 148.4
[M+Na]+ 247.094078 153.6
[M-H]- 223.097584 152.6
[M+NH4]+ 242.138683 163.7
[M+K]+ 263.068018 152.3
[M+H-H2O]+ 207.102120 141.7
[M+HCOO]- 269.103061 166.1
[M+CH3COO]- 283.118711 182.6
[M+Na-2H]- 245.079526 153.2
[M]+ 224.10431142 146.0
[M]- 224.10540858 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.