CID 5123729

2-phenyl-1-cyclopropanecarboxaldehyde diethyl acetal

Structural Information

Molecular Formula
C14H20O2
SMILES
CCOC(C1CC1C2=CC=CC=C2)OCC
InChI
InChI=1S/C14H20O2/c1-3-15-14(16-4-2)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3
InChIKey
XDFRERJYVKNAFM-UHFFFAOYSA-N
Compound name
[2-(diethoxymethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 151.3
[M+Na]+ 243.13555 165.0
[M+NH4]+ 238.18015 160.5
[M+K]+ 259.10949 159.4
[M-H]- 219.13905 161.6
[M+Na-2H]- 241.12100 160.9
[M]+ 220.14578 157.3
[M]- 220.14688 157.3
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.