CID 61712

4-ethylsyringol

Structural Information

Molecular Formula
C10H14O3
SMILES
CCC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3
InChIKey
PJWDIHUFLXQRFF-UHFFFAOYSA-N
Compound name
4-ethyl-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

277
Patents

182.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 137.5
[M+Na]+ 205.08352 150.5
[M+NH4]+ 200.12812 145.5
[M+K]+ 221.05746 144.7
[M-H]- 181.08702 139.0
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 139.7
[M]- 182.09485 139.7
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