CID 22239

3,4,5-trimethoxybenzoyl cyanide

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C#N
InChI
InChI=1S/C11H11NO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5H,1-3H3
InChIKey
NHZLVOHMHLFZLS-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxybenzoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 144.3
[M+Na]+ 244.05802 155.9
[M+NH4]+ 239.10262 147.8
[M+K]+ 260.03196 148.2
[M-H]- 220.06152 137.9
[M+Na-2H]- 242.04347 147.1
[M]+ 221.06825 143.2
[M]- 221.06935 143.2
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