CID 3806908

4-(4-methoxyphenyl)-4-oxobutanenitrile

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCC#N
InChI
InChI=1S/C11H11NO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3H2,1H3
InChIKey
UTVSIESNEORCDC-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-4-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 141.0
[M+Na]+ 212.06820 150.6
[M-H]- 188.07170 144.3
[M+NH4]+ 207.11280 158.7
[M+K]+ 228.04214 147.9
[M+H-H2O]+ 172.07624 128.6
[M+HCOO]- 234.07718 161.1
[M+CH3COO]- 248.09283 195.7
[M+Na-2H]- 210.05365 145.9
[M]+ 189.07843 138.3
[M]- 189.07953 138.3
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.