CID 130743595

3-[2-(benzyloxy)ethyl]oxolane-3-carbaldehyde

Structural Information

Molecular Formula
C14H18O3
SMILES
C1COCC1(CCOCC2=CC=CC=C2)C=O
InChI
InChI=1S/C14H18O3/c15-11-14(7-9-17-12-14)6-8-16-10-13-4-2-1-3-5-13/h1-5,11H,6-10,12H2
InChIKey
MYYQLQAUNOKVLL-UHFFFAOYSA-N
Compound name
3-(2-phenylmethoxyethyl)oxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 153.1
[M+Na]+ 257.114818 158.8
[M-H]- 233.118324 159.7
[M+NH4]+ 252.159423 172.8
[M+K]+ 273.088758 157.6
[M+H-H2O]+ 217.122860 146.7
[M+HCOO]- 279.123801 175.4
[M+CH3COO]- 293.139451 187.4
[M+Na-2H]- 255.100266 158.7
[M]+ 234.12505142 154.6
[M]- 234.12614858 154.6
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.