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]+ 235.13288 153.1
[M+Na]+ 257.11482 158.8
[M-H]- 233.11832 159.7
[M+NH4]+ 252.15942 172.8
[M+K]+ 273.08876 157.6
[M+H-H2O]+ 217.12286 146.7
[M+HCOO]- 279.12380 175.4
[M+CH3COO]- 293.13945 187.4
[M+Na-2H]- 255.10027 158.7
[M]+ 234.12505 154.6
[M]- 234.12615 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.