CID 83798395

3-(4-methoxy-2-methylphenyl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=C(C=CC(=C1)OC)C(=O)CC#N
InChI
InChI=1S/C11H11NO2/c1-8-7-9(14-2)3-4-10(8)11(13)5-6-12/h3-4,7H,5H2,1-2H3
InChIKey
JMGFTBBAGNXRHD-UHFFFAOYSA-N
Compound name
3-(4-methoxy-2-methylphenyl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 140.2
[M+Na]+ 212.068198 150.7
[M-H]- 188.071704 143.9
[M+NH4]+ 207.112803 158.3
[M+K]+ 228.042138 148.1
[M+H-H2O]+ 172.076240 128.1
[M+HCOO]- 234.077181 160.3
[M+CH3COO]- 248.092831 196.7
[M+Na-2H]- 210.053646 144.5
[M]+ 189.07843142 137.8
[M]- 189.07952858 137.8
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.