CID 258820

Diethyl 2-phenylcyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula
C15H18O4
SMILES
CCOC(=O)C1(CC1C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C15H18O4/c1-3-18-13(16)15(14(17)19-4-2)10-12(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey
AIBJDWXTNYIAKH-UHFFFAOYSA-N
Compound name
diethyl 2-phenylcyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

262.1205 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 159.7
[M+Na]+ 285.109718 168.1
[M-H]- 261.113224 167.3
[M+NH4]+ 280.154323 173.6
[M+K]+ 301.083658 166.5
[M+H-H2O]+ 245.117760 153.7
[M+HCOO]- 307.118701 181.7
[M+CH3COO]- 321.134351 197.9
[M+Na-2H]- 283.095166 163.3
[M]+ 262.11995142 166.7
[M]- 262.12104858 166.7
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