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

30
Patents

148.08882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 128.5
[M+Na]+ 171.07804 137.7
[M-H]- 147.08154 132.8
[M+NH4]+ 166.12264 150.5
[M+K]+ 187.05198 135.7
[M+H-H2O]+ 131.08608 123.4
[M+HCOO]- 193.08702 153.3
[M+CH3COO]- 207.10267 177.8
[M+Na-2H]- 169.06349 135.0
[M]+ 148.08827 130.4
[M]- 148.08937 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