CID 22452557

3-amino-4-methoxybenzonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=C(C=C(C=C1)C#N)N
InChI
InChI=1S/C8H8N2O/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3
InChIKey
MAYBZGKWHOVSAQ-UHFFFAOYSA-N
Compound name
3-amino-4-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

126
Patents

148.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 131.5
[M+Na]+ 171.05288 143.4
[M+NH4]+ 166.09748 136.7
[M+K]+ 187.02682 134.4
[M-H]- 147.05638 126.9
[M+Na-2H]- 169.03833 135.9
[M]+ 148.06311 131.0
[M]- 148.06421 131.0
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

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