CID 45082911

2-ethyl-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CCC1=C(C=CC(=C1)O)C=O
InChI
InChI=1S/C9H10O2/c1-2-7-5-9(11)4-3-8(7)6-10/h3-6,11H,2H2,1H3
InChIKey
NHONMDAFARLXAU-UHFFFAOYSA-N
Compound name
2-ethyl-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

150.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 128.1
[M+Na]+ 173.057298 137.3
[M-H]- 149.060804 131.2
[M+NH4]+ 168.101903 149.3
[M+K]+ 189.031238 135.1
[M+H-H2O]+ 133.065340 123.3
[M+HCOO]- 195.066281 152.0
[M+CH3COO]- 209.081931 174.1
[M+Na-2H]- 171.042746 134.7
[M]+ 150.06753142 129.2
[M]- 150.06862858 129.2
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