CID 79953

Benzonitrile, 4-amino-2,5-dimethoxy-

Structural Information

Molecular Formula
C9H10N2O2
SMILES
COC1=CC(=C(C=C1C#N)OC)N
InChI
InChI=1S/C9H10N2O2/c1-12-8-4-7(11)9(13-2)3-6(8)5-10/h3-4H,11H2,1-2H3
InChIKey
PFMALIJIGNRGFT-UHFFFAOYSA-N
Compound name
4-amino-2,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

178.07423 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe