CID 232735

4-amino-2-methoxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

396
Patents

148.06366 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe