CID 62465

4-ethyl-2-methoxyphenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChIKey
CHWNEIVBYREQRF-UHFFFAOYSA-N
Compound name
4-ethyl-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

111
References

4168
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 129.6
[M+Na]+ 175.07294 138.5
[M-H]- 151.07644 132.6
[M+NH4]+ 170.11754 150.8
[M+K]+ 191.04688 136.8
[M+H-H2O]+ 135.08098 124.6
[M+HCOO]- 197.08192 153.2
[M+CH3COO]- 211.09757 175.0
[M+Na-2H]- 173.05839 136.1
[M]+ 152.08317 131.4
[M]- 152.08427 131.4
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