CID 1567745

2-(naphthalen-2-yloxy)acetonitrile

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC#N
InChI
InChI=1S/C12H9NO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2
InChIKey
YVRXIVWRURPCRV-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yloxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.06842 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 140.4
[M+Na]+ 206.057638 151.5
[M-H]- 182.061144 144.3
[M+NH4]+ 201.102243 159.3
[M+K]+ 222.031578 146.0
[M+H-H2O]+ 166.065680 128.0
[M+HCOO]- 228.066621 160.5
[M+CH3COO]- 242.082271 194.3
[M+Na-2H]- 204.043086 148.6
[M]+ 183.06787142 136.7
[M]- 183.06896858 136.7
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