CID 126997323

3-benzyloxolane-3-carbaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
C1COCC1(CC2=CC=CC=C2)C=O
InChI
InChI=1S/C12H14O2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h1-5,9H,6-8,10H2
InChIKey
IITLJNLKSWVGKV-UHFFFAOYSA-N
Compound name
3-benzyloxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.7
[M+Na]+ 213.088598 147.4
[M-H]- 189.092104 147.8
[M+NH4]+ 208.133203 162.3
[M+K]+ 229.062538 146.3
[M+H-H2O]+ 173.096640 135.0
[M+HCOO]- 235.097581 163.5
[M+CH3COO]- 249.113231 179.4
[M+Na-2H]- 211.074046 147.4
[M]+ 190.09883142 140.1
[M]- 190.09992858 140.1
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.