CID 66070496

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=CC=C1C(C#N)OC
InChI
InChI=1S/C10H11NO2/c1-12-9-6-4-3-5-8(9)10(7-11)13-2/h3-6,10H,1-2H3
InChIKey
DWIYNNMLQIUUCY-UHFFFAOYSA-N
Compound name
2-methoxy-2-(2-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.0
[M+Na]+ 200.06820 146.8
[M-H]- 176.07170 140.5
[M+NH4]+ 195.11280 155.3
[M+K]+ 216.04214 144.9
[M+H-H2O]+ 160.07624 124.8
[M+HCOO]- 222.07718 157.2
[M+CH3COO]- 236.09283 193.8
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 134.6
[M]- 177.07953 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