CID 10419340

2-ethyl-3-methylbenzaldehyde

Structural Information

Molecular Formula
C10H12O
SMILES
CCC1=C(C=CC=C1C=O)C
InChI
InChI=1S/C10H12O/c1-3-10-8(2)5-4-6-9(10)7-11/h4-7H,3H2,1-2H3
InChIKey
VDBONLVTHVGQNS-UHFFFAOYSA-N
Compound name
2-ethyl-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

148.08882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 128.5
[M+Na]+ 171.078038 137.7
[M-H]- 147.081544 132.8
[M+NH4]+ 166.122643 150.5
[M+K]+ 187.051978 135.7
[M+H-H2O]+ 131.086080 123.4
[M+HCOO]- 193.087021 153.3
[M+CH3COO]- 207.102671 177.8
[M+Na-2H]- 169.063486 135.0
[M]+ 148.08827142 130.4
[M]- 148.08936858 130.4
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