CID 10931588

13519-16-9

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=CC=C(C=C1)NC#N
InChI
InChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3
InChIKey
QQESBGXIUZCUIM-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

148.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 132.5
[M+Na]+ 171.05288 144.4
[M+NH4]+ 166.09748 137.8
[M+K]+ 187.02682 134.9
[M-H]- 147.05638 128.0
[M+Na-2H]- 169.03833 137.4
[M]+ 148.06311 132.0
[M]- 148.06421 132.0
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