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]+ 221.153606 149.4
[M+Na]+ 243.135548 157.2
[M-H]- 219.139054 156.6
[M+NH4]+ 238.180153 163.2
[M+K]+ 259.109488 154.7
[M+H-H2O]+ 203.143590 142.2
[M+HCOO]- 265.144531 172.3
[M+CH3COO]- 279.160181 193.7
[M+Na-2H]- 241.120996 153.7
[M]+ 220.14578142 154.7
[M]- 220.14687858 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.