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]+ 177.06586 138.4
[M+Na]+ 199.04780 147.8
[M-H]- 175.05130 141.7
[M+NH4]+ 194.09240 156.1
[M+K]+ 215.02174 145.7
[M+H-H2O]+ 159.05584 125.8
[M+HCOO]- 221.05678 159.7
[M+CH3COO]- 235.07243 194.1
[M+Na-2H]- 197.03325 144.1
[M]+ 176.05803 134.0
[M]- 176.05913 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.