CID 10773122

3-amino-5-methoxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 130.8
[M+Na]+ 171.05288 141.5
[M-H]- 147.05638 134.3
[M+NH4]+ 166.09748 149.9
[M+K]+ 187.02682 139.2
[M+H-H2O]+ 131.06092 118.9
[M+HCOO]- 193.06186 152.5
[M+CH3COO]- 207.07751 190.6
[M+Na-2H]- 169.03833 136.8
[M]+ 148.06311 125.7
[M]- 148.06421 125.7
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

patents stripe