CID 359811

2-cyano-n-(4-ethoxyphenyl)acetamide

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC#N
InChI
InChI=1S/C11H12N2O2/c1-2-15-10-5-3-9(4-6-10)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey
OVLKYXWCLMCKIB-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

204.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 146.3
[M+Na]+ 227.079088 155.0
[M-H]- 203.082594 149.4
[M+NH4]+ 222.123693 163.1
[M+K]+ 243.053028 152.5
[M+H-H2O]+ 187.087130 133.4
[M+HCOO]- 249.088071 167.1
[M+CH3COO]- 263.103721 199.5
[M+Na-2H]- 225.064536 151.2
[M]+ 204.08932142 142.6
[M]- 204.09041858 142.6
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