CID 3788216

2-cyano-n-(3,4-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C11H12N2O3
SMILES
COC1=C(C=C(C=C1)NC(=O)CC#N)OC
InChI
InChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKey
FQSFOQOBZIALFQ-UHFFFAOYSA-N
Compound name
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.0
[M+Na]+ 243.07402 157.2
[M-H]- 219.07752 151.3
[M+NH4]+ 238.11862 164.4
[M+K]+ 259.04796 155.5
[M+H-H2O]+ 203.08206 135.1
[M+HCOO]- 265.08300 168.9
[M+CH3COO]- 279.09865 202.5
[M+Na-2H]- 241.05947 152.3
[M]+ 220.08425 145.9
[M]- 220.08535 145.9
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

No patent data available for this compound.