CID 4166832

1-benzylglycerol-2,3-carbonate

Structural Information

Molecular Formula
C11H12O4
SMILES
C1C(OC(=O)O1)COCC2=CC=CC=C2
InChI
InChI=1S/C11H12O4/c12-11-14-8-10(15-11)7-13-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
PLTALYMSSXETDZ-UHFFFAOYSA-N
Compound name
4-(phenylmethoxymethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.0
[M+Na]+ 231.06278 155.0
[M+NH4]+ 226.10738 151.0
[M+K]+ 247.03672 151.6
[M-H]- 207.06628 148.3
[M+Na-2H]- 229.04823 148.7
[M]+ 208.07301 146.1
[M]- 208.07411 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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