CID 123520

P-butyryloxybenzaldehyde

Structural Information

Molecular Formula
C11H12O3
SMILES
CCCC(=O)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H12O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-8H,2-3H2,1H3
InChIKey
DAFTVVBQFUITOL-UHFFFAOYSA-N
Compound name
(4-formylphenyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

192.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.0
[M+Na]+ 215.06786 153.4
[M+NH4]+ 210.11246 148.6
[M+K]+ 231.04180 147.2
[M-H]- 191.07136 142.2
[M+Na-2H]- 213.05331 147.1
[M]+ 192.07809 143.0
[M]- 192.07919 143.0
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