CID 85232

2-methoxy-1-naphthonitrile

Structural Information

Molecular Formula
C12H9NO
SMILES
COC1=C(C2=CC=CC=C2C=C1)C#N
InChI
InChI=1S/C12H9NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,1H3
InChIKey
KPIZWRFKCSLGQK-UHFFFAOYSA-N
Compound name
2-methoxynaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

183.06842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 140.8
[M+Na]+ 206.05764 155.3
[M+NH4]+ 201.10224 147.2
[M+K]+ 222.03158 144.2
[M-H]- 182.06114 137.1
[M+Na-2H]- 204.04309 146.3
[M]+ 183.06787 141.2
[M]- 183.06897 141.2
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