CID 144317

2,3,4-trimethoxyphenylacetonitrile

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC1=C(C(=C(C=C1)CC#N)OC)OC
InChI
InChI=1S/C11H13NO3/c1-13-9-5-4-8(6-7-12)10(14-2)11(9)15-3/h4-5H,6H2,1-3H3
InChIKey
RZVUKELRMABJPI-UHFFFAOYSA-N
Compound name
2-(2,3,4-trimethoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

207.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 140.7
[M+Na]+ 230.07876 151.8
[M-H]- 206.08226 144.7
[M+NH4]+ 225.12336 158.5
[M+K]+ 246.05270 150.2
[M+H-H2O]+ 190.08680 128.6
[M+HCOO]- 252.08774 161.8
[M+CH3COO]- 266.10339 199.7
[M+Na-2H]- 228.06421 145.8
[M]+ 207.08899 141.3
[M]- 207.09009 141.3
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

No patent data available for this compound.