CID 49874520

2-ethoxy-3-methylbenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CCOC1=C(C=CC=C1C=O)C
InChI
InChI=1S/C10H12O2/c1-3-12-10-8(2)5-4-6-9(10)7-11/h4-7H,3H2,1-2H3
InChIKey
UQPRTBWIRGBPGV-UHFFFAOYSA-N
Compound name
2-ethoxy-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

164.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 131.9
[M+Na]+ 187.072938 141.1
[M-H]- 163.076444 136.2
[M+NH4]+ 182.117543 153.3
[M+K]+ 203.046878 139.6
[M+H-H2O]+ 147.080980 126.6
[M+HCOO]- 209.081921 156.9
[M+CH3COO]- 223.097571 179.8
[M+Na-2H]- 185.058386 138.4
[M]+ 164.08317142 135.3
[M]- 164.08426858 135.3
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