CID 75731

2,4,6-trimethoxybenzonitrile

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=CC(=C(C(=C1)OC)C#N)OC
InChI
InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3
InChIKey
GBRHJUMDNWLSCT-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.0
[M+Na]+ 216.06312 150.5
[M+NH4]+ 211.10772 142.5
[M+K]+ 232.03706 141.8
[M-H]- 192.06662 132.4
[M+Na-2H]- 214.04857 141.8
[M]+ 193.07335 137.4
[M]- 193.07445 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe