CID 349173

6-methoxynaphthalene-2-carbonitrile

Structural Information

Molecular Formula
C12H9NO
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C#N
InChI
InChI=1S/C12H9NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,1H3
InChIKey
SWEFYGCKCMJSPD-UHFFFAOYSA-N
Compound name
6-methoxynaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

183.06842 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 140.2
[M+Na]+ 206.057638 152.1
[M-H]- 182.061144 144.5
[M+NH4]+ 201.102243 159.4
[M+K]+ 222.031578 146.8
[M+H-H2O]+ 166.065680 128.1
[M+HCOO]- 228.066621 160.3
[M+CH3COO]- 242.082271 195.3
[M+Na-2H]- 204.043086 147.8
[M]+ 183.06787142 136.8
[M]- 183.06896858 136.8
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