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 149.4
[M+Na]+ 243.13555 157.2
[M-H]- 219.13905 156.6
[M+NH4]+ 238.18015 163.2
[M+K]+ 259.10949 154.7
[M+H-H2O]+ 203.14359 142.2
[M+HCOO]- 265.14453 172.3
[M+CH3COO]- 279.16018 193.7
[M+Na-2H]- 241.12100 153.7
[M]+ 220.14578 154.7
[M]- 220.14688 154.7
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.