CID 20406123

2-(2,6-dimethoxyphenoxy)acetonitrile

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=C(C(=CC=C1)OC)OCC#N
InChI
InChI=1S/C10H11NO3/c1-12-8-4-3-5-9(13-2)10(8)14-7-6-11/h3-5H,7H2,1-2H3
InChIKey
QDAOLZRIBDCHRR-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 137.3
[M+Na]+ 216.063118 148.0
[M-H]- 192.066624 141.0
[M+NH4]+ 211.107723 155.3
[M+K]+ 232.037058 146.4
[M+H-H2O]+ 176.071160 125.1
[M+HCOO]- 238.072101 158.7
[M+CH3COO]- 252.087751 195.9
[M+Na-2H]- 214.048566 143.5
[M]+ 193.07335142 137.1
[M]- 193.07444858 137.1
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

patents stripe