CID 2384621

2-(4-acetylphenoxy)acetonitrile

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC(=O)C1=CC=C(C=C1)OCC#N
InChI
InChI=1S/C10H9NO2/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5H,7H2,1H3
InChIKey
LMPOOCSNZQWRBX-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 137.0
[M+Na]+ 198.05254 147.0
[M-H]- 174.05604 140.4
[M+NH4]+ 193.09714 155.2
[M+K]+ 214.02648 144.5
[M+H-H2O]+ 158.06058 124.7
[M+HCOO]- 220.06152 157.3
[M+CH3COO]- 234.07717 193.0
[M+Na-2H]- 196.03799 142.3
[M]+ 175.06277 133.9
[M]- 175.06387 133.9
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