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

5
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 137.3
[M+Na]+ 216.06312 148.0
[M-H]- 192.06662 141.0
[M+NH4]+ 211.10772 155.3
[M+K]+ 232.03706 146.4
[M+H-H2O]+ 176.07116 125.1
[M+HCOO]- 238.07210 158.7
[M+CH3COO]- 252.08775 195.9
[M+Na-2H]- 214.04857 143.5
[M]+ 193.07335 137.1
[M]- 193.07445 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