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]+ 267.122696 152.1
[M+Na]+ 289.104638 162.5
[M-H]- 265.108144 161.4
[M+NH4]+ 284.149243 172.6
[M+K]+ 305.078578 163.9
[M+H-H2O]+ 249.112680 148.1
[M+HCOO]- 311.113621 173.9
[M+CH3COO]- 325.129271 196.4
[M+Na-2H]- 287.090086 158.4
[M]+ 266.11487142 159.6
[M]- 266.11596858 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.