CID 131751231

(2rs,5rs)-(e)-2-(2-phenylethenyl)-1,3-dioxan-5-ol

Structural Information

Molecular Formula
C12H14O3
SMILES
C1C(COC(O1)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C12H14O3/c13-11-8-14-12(15-9-11)7-6-10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/b7-6+
InChIKey
AWGIRTJPUGDYCN-VOTSOKGWSA-N
Compound name
2-[(E)-2-phenylethenyl]-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.9
[M+Na]+ 229.08352 150.3
[M-H]- 205.08702 150.9
[M+NH4]+ 224.12812 160.2
[M+K]+ 245.05746 149.6
[M+H-H2O]+ 189.09156 138.2
[M+HCOO]- 251.09250 163.2
[M+CH3COO]- 265.10815 180.5
[M+Na-2H]- 227.06897 151.7
[M]+ 206.09375 142.4
[M]- 206.09485 142.4
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.