CID 13584702

3-formyl-4,5-dimethoxybenzonitrile

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=CC(=CC(=C1OC)C=O)C#N
InChI
InChI=1S/C10H9NO3/c1-13-9-4-7(5-11)3-8(6-12)10(9)14-2/h3-4,6H,1-2H3
InChIKey
XYPYSYVQRVGVOO-UHFFFAOYSA-N
Compound name
3-formyl-4,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.5
[M+Na]+ 214.047458 148.3
[M-H]- 190.050964 140.7
[M+NH4]+ 209.092063 154.8
[M+K]+ 230.021398 146.3
[M+H-H2O]+ 174.055500 124.6
[M+HCOO]- 236.056441 158.1
[M+CH3COO]- 250.072091 196.2
[M+Na-2H]- 212.032906 142.0
[M]+ 191.05769142 136.1
[M]- 191.05878858 136.1
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

No patent data available for this compound.