CID 2454954

2-(5-acetyl-2-methoxyphenyl)acetonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 140.2
[M+Na]+ 212.06820 150.7
[M-H]- 188.07170 143.9
[M+NH4]+ 207.11280 158.3
[M+K]+ 228.04214 148.1
[M+H-H2O]+ 172.07624 128.1
[M+HCOO]- 234.07718 160.3
[M+CH3COO]- 248.09283 196.7
[M+Na-2H]- 210.05365 144.5
[M]+ 189.07843 137.8
[M]- 189.07953 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

patents stripe