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]+ 191.10666 140.7
[M+Na]+ 213.08860 147.4
[M-H]- 189.09210 147.8
[M+NH4]+ 208.13320 162.3
[M+K]+ 229.06254 146.3
[M+H-H2O]+ 173.09664 135.0
[M+HCOO]- 235.09758 163.5
[M+CH3COO]- 249.11323 179.4
[M+Na-2H]- 211.07405 147.4
[M]+ 190.09883 140.1
[M]- 190.09993 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.