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

376
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 131.2
[M+Na]+ 170.057638 140.7
[M-H]- 146.061144 134.5
[M+NH4]+ 165.102243 150.3
[M+K]+ 186.031578 138.3
[M+H-H2O]+ 130.065680 119.1
[M+HCOO]- 192.066621 151.5
[M+CH3COO]- 206.082271 188.3
[M+Na-2H]- 168.043086 137.8
[M]+ 147.06787142 126.8
[M]- 147.06896858 126.8
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