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

1
Patents

176.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.1
[M+Na]+ 199.07294 143.2
[M-H]- 175.07644 143.3
[M+NH4]+ 194.11754 158.2
[M+K]+ 215.04688 142.3
[M+H-H2O]+ 159.08098 130.5
[M+HCOO]- 221.08192 159.2
[M+CH3COO]- 235.09757 176.3
[M+Na-2H]- 197.05839 143.3
[M]+ 176.08317 135.1
[M]- 176.08427 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