CID 735967

2-amino-4,5-dimethoxybenzonitrile

Structural Information

Molecular Formula
C9H10N2O2
SMILES
COC1=C(C=C(C(=C1)C#N)N)OC
InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,11H2,1-2H3
InChIKey
BJAYMNUBIULRMF-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

471
Patents

178.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.8
[M+Na]+ 201.06345 147.7
[M-H]- 177.06695 140.4
[M+NH4]+ 196.10805 154.9
[M+K]+ 217.03739 145.8
[M+H-H2O]+ 161.07149 124.7
[M+HCOO]- 223.07243 158.4
[M+CH3COO]- 237.08808 196.3
[M+Na-2H]- 199.04890 141.7
[M]+ 178.07368 133.6
[M]- 178.07478 133.6
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