CID 70129

4-methoxybenzonitrile

Structural Information

Molecular Formula
C8H7NO
SMILES
COC1=CC=C(C=C1)C#N
InChI
InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey
XDJAAZYHCCRJOK-UHFFFAOYSA-N
Compound name
4-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

2684
Patents

133.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 126.8
[M+Na]+ 156.04198 139.9
[M+NH4]+ 151.08658 132.6
[M+K]+ 172.01592 130.2
[M-H]- 132.04548 122.2
[M+Na-2H]- 154.02743 132.2
[M]+ 133.05221 126.6
[M]- 133.05331 126.6
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