CID 54115

4-(3,4-dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C14H18O5
SMILES
CC1(C(OC(=O)O1)(C)C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C14H18O5/c1-13(2)14(3,19-12(15)18-13)9-6-7-10(16-4)11(8-9)17-5/h6-8H,1-5H3
InChIKey
DCLCSXCCFKDIDD-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-4,5,5-trimethyl-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 152.1
[M+Na]+ 289.10464 162.5
[M-H]- 265.10814 161.4
[M+NH4]+ 284.14924 172.6
[M+K]+ 305.07858 163.9
[M+H-H2O]+ 249.11268 148.1
[M+HCOO]- 311.11362 173.9
[M+CH3COO]- 325.12927 196.4
[M+Na-2H]- 287.09009 158.4
[M]+ 266.11487 159.6
[M]- 266.11597 159.6
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.