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

163
Patents

150.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.1
[M+Na]+ 173.05730 137.3
[M-H]- 149.06080 131.2
[M+NH4]+ 168.10190 149.3
[M+K]+ 189.03124 135.1
[M+H-H2O]+ 133.06534 123.3
[M+HCOO]- 195.06628 152.0
[M+CH3COO]- 209.08193 174.1
[M+Na-2H]- 171.04275 134.7
[M]+ 150.06753 129.2
[M]- 150.06863 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