CID 53400608

2-methoxy-2-(3-methoxyphenyl)acetonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=CC(=C1)C(C#N)OC
InChI
InChI=1S/C10H11NO2/c1-12-9-5-3-4-8(6-9)10(7-11)13-2/h3-6,10H,1-2H3
InChIKey
UQJPQYTZCLYJML-UHFFFAOYSA-N
Compound name
2-methoxy-2-(3-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.0
[M+Na]+ 200.068198 146.8
[M-H]- 176.071704 140.5
[M+NH4]+ 195.112803 155.3
[M+K]+ 216.042138 144.9
[M+H-H2O]+ 160.076240 124.8
[M+HCOO]- 222.077181 157.2
[M+CH3COO]- 236.092831 193.8
[M+Na-2H]- 198.053646 142.5
[M]+ 177.07843142 134.6
[M]- 177.07952858 134.6
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