CID 75033

2-phenoxyacetaldehyde

Structural Information

Molecular Formula
C8H8O2
SMILES
C1=CC=C(C=C1)OCC=O
InChI
InChI=1S/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
XFFILAFLGDUMBF-UHFFFAOYSA-N
Compound name
2-phenoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

10492
Patents

136.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 125.4
[M+Na]+ 159.04165 138.8
[M+NH4]+ 154.08625 134.5
[M+K]+ 175.01559 131.9
[M-H]- 135.04515 127.7
[M+Na-2H]- 157.02710 133.6
[M]+ 136.05188 127.9
[M]- 136.05298 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe