CID 91647497

3-phenyloxolane-3-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
C1COCC1(C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2
InChIKey
MHIRTNVRQOESLH-UHFFFAOYSA-N
Compound name
3-phenyloxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.1
[M+Na]+ 199.072938 143.2
[M-H]- 175.076444 143.3
[M+NH4]+ 194.117543 158.2
[M+K]+ 215.046878 142.3
[M+H-H2O]+ 159.080980 130.5
[M+HCOO]- 221.081921 159.2
[M+CH3COO]- 235.097571 176.3
[M+Na-2H]- 197.058386 143.3
[M]+ 176.08317142 135.1
[M]- 176.08426858 135.1
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

patents stripe