CID 846079

2-cyano-n-(3-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC1=CC=CC(=C1)NC(=O)CC#N
InChI
InChI=1S/C10H10N2O2/c1-14-9-4-2-3-8(7-9)12-10(13)5-6-11/h2-4,7H,5H2,1H3,(H,12,13)
InChIKey
HUCXLSDKVSJQEW-UHFFFAOYSA-N
Compound name
2-cyano-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 142.3
[M+Na]+ 213.06345 151.4
[M-H]- 189.06695 145.6
[M+NH4]+ 208.10805 159.6
[M+K]+ 229.03739 149.1
[M+H-H2O]+ 173.07149 129.6
[M+HCOO]- 235.07243 163.4
[M+CH3COO]- 249.08808 196.8
[M+Na-2H]- 211.04890 147.7
[M]+ 190.07368 138.3
[M]- 190.07478 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.