CID 4166832

4-[(benzyloxy)methyl]-1,3-dioxolan-2-one

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

137
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.0
[M+Na]+ 231.062778 149.0
[M-H]- 207.066284 149.8
[M+NH4]+ 226.107383 159.6
[M+K]+ 247.036718 149.8
[M+H-H2O]+ 191.070820 136.0
[M+HCOO]- 253.071761 164.5
[M+CH3COO]- 267.087411 182.3
[M+Na-2H]- 229.048226 148.4
[M]+ 208.07301142 144.6
[M]- 208.07410858 144.6
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

patents stripe