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

7
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 143.7
[M+Na]+ 244.05802 154.6
[M-H]- 220.06152 147.7
[M+NH4]+ 239.10262 160.7
[M+K]+ 260.03196 153.5
[M+H-H2O]+ 204.06606 131.5
[M+HCOO]- 266.06700 164.2
[M+CH3COO]- 280.08265 201.5
[M+Na-2H]- 242.04347 147.6
[M]+ 221.06825 144.3
[M]- 221.06935 144.3
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