CID 23159210

3-ethyl-4-hydroxy-5-methylbenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC1=C(C(=CC(=C1)C=O)C)O
InChI
InChI=1S/C10H12O2/c1-3-9-5-8(6-11)4-7(2)10(9)12/h4-6,12H,3H2,1-2H3
InChIKey
NOJRKPAAIZFFQR-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxy-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

164.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.0
[M+Na]+ 187.07294 141.7
[M-H]- 163.07644 135.2
[M+NH4]+ 182.11754 152.9
[M+K]+ 203.04688 139.2
[M+H-H2O]+ 147.08098 127.2
[M+HCOO]- 209.08192 155.4
[M+CH3COO]- 223.09757 178.3
[M+Na-2H]- 185.05839 137.3
[M]+ 164.08317 133.8
[M]- 164.08427 133.8
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

patents stripe