CID 3934769

3-ethoxy-4-methoxybenzonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
CCOC1=C(C=CC(=C1)C#N)OC
InChI
InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3
InChIKey
XTIINWPNAMHVDG-UHFFFAOYSA-N
Compound name
3-ethoxy-4-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

177.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.1
[M+Na]+ 200.068198 145.9
[M-H]- 176.071704 138.9
[M+NH4]+ 195.112803 153.8
[M+K]+ 216.042138 143.8
[M+H-H2O]+ 160.076240 123.1
[M+HCOO]- 222.077181 156.3
[M+CH3COO]- 236.092831 194.1
[M+Na-2H]- 198.053646 141.2
[M]+ 177.07843142 133.7
[M]- 177.07952858 133.7
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