CID 320056

2-methoxy-2-phenylacetonitrile

Structural Information

Molecular Formula
C9H9NO
SMILES
COC(C#N)C1=CC=CC=C1
InChI
InChI=1S/C9H9NO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey
HYXJXCNHNYUWAZ-UHFFFAOYSA-N
Compound name
2-methoxy-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 132.2
[M+Na]+ 170.05764 144.5
[M+NH4]+ 165.10224 137.7
[M+K]+ 186.03158 135.0
[M-H]- 146.06114 127.3
[M+Na-2H]- 168.04309 137.2
[M]+ 147.06787 131.7
[M]- 147.06897 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe