CID 6429811

5-ethyl-2-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

150.06808 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe