CID 20861

4-ethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O
SMILES
CCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N
Compound name
4-ethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

24488
Patents

134.07317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 124.7
[M+Na]+ 157.06239 133.4
[M-H]- 133.06589 128.7
[M+NH4]+ 152.10699 146.9
[M+K]+ 173.03633 131.6
[M+H-H2O]+ 117.07043 119.5
[M+HCOO]- 179.07137 149.8
[M+CH3COO]- 193.08702 173.6
[M+Na-2H]- 155.04784 132.4
[M]+ 134.07262 125.8
[M]- 134.07372 125.8
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.