CID 11819199

2-amino-3-methoxybenzonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=CC=CC(=C1N)C#N
InChI
InChI=1S/C8H8N2O/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,10H2,1H3
InChIKey
KLCPAKMBBMVXMD-UHFFFAOYSA-N
Compound name
2-amino-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

148.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 130.8
[M+Na]+ 171.052878 141.5
[M-H]- 147.056384 134.3
[M+NH4]+ 166.097483 149.9
[M+K]+ 187.026818 139.2
[M+H-H2O]+ 131.060920 118.9
[M+HCOO]- 193.061861 152.5
[M+CH3COO]- 207.077511 190.6
[M+Na-2H]- 169.038326 136.8
[M]+ 148.06311142 125.7
[M]- 148.06420858 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