CID 110856

6452-54-6

Structural Information

Molecular Formula
C12H16O4
SMILES
C=CCOC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C12H16O4/c1-2-7-15-11-5-3-4-6-12(11)16-9-10(14)8-13/h2-6,10,13-14H,1,7-9H2
InChIKey
WTGJGWJJJOCUQE-UHFFFAOYSA-N
Compound name
3-(2-prop-2-enoxyphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 149.8
[M+Na]+ 247.094078 155.8
[M-H]- 223.097584 150.4
[M+NH4]+ 242.138683 166.6
[M+K]+ 263.068018 153.4
[M+H-H2O]+ 207.102120 143.7
[M+HCOO]- 269.103061 170.5
[M+CH3COO]- 283.118711 184.4
[M+Na-2H]- 245.079526 153.5
[M]+ 224.10431142 151.9
[M]- 224.10540858 151.9
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.