CID 79953

5855-86-7

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

75
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.8
[M+Na]+ 201.063448 147.7
[M-H]- 177.066954 140.4
[M+NH4]+ 196.108053 154.9
[M+K]+ 217.037388 145.8
[M+H-H2O]+ 161.071490 124.7
[M+HCOO]- 223.072431 158.4
[M+CH3COO]- 237.088081 196.3
[M+Na-2H]- 199.048896 141.7
[M]+ 178.07368142 133.6
[M]- 178.07477858 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