CID 3314121

N-(2-methoxyphenyl)cyanoformamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC=CC=C1NC(=O)C#N
InChI
InChI=1S/C9H8N2O2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,1H3,(H,11,12)
InChIKey
MUQMCCNBEKGYDC-UHFFFAOYSA-N
Compound name
1-cyano-N-(2-methoxyphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 138.4
[M+Na]+ 199.047798 147.8
[M-H]- 175.051304 141.7
[M+NH4]+ 194.092403 156.1
[M+K]+ 215.021738 145.7
[M+H-H2O]+ 159.055840 125.8
[M+HCOO]- 221.056781 159.7
[M+CH3COO]- 235.072431 194.1
[M+Na-2H]- 197.033246 144.1
[M]+ 176.05803142 134.0
[M]- 176.05912858 134.0
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.