CID 2825904

2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile

Structural Information

Molecular Formula
C14H10N2
SMILES
C1=CC2=C(C=CC(=C2)CC#N)C=C1CC#N
InChI
InChI=1S/C14H10N2/c15-7-5-11-1-3-13-10-12(6-8-16)2-4-14(13)9-11/h1-4,9-10H,5-6H2
InChIKey
RZWVWBONNSEWDU-UHFFFAOYSA-N
Compound name
2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

206.0844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09168 174.5
[M+Na]+ 229.07362 184.7
[M+NH4]+ 224.11822 176.2
[M+K]+ 245.04756 172.4
[M-H]- 205.07712 165.8
[M+Na-2H]- 227.05907 174.6
[M]+ 206.08385 172.4
[M]- 206.08495 172.4
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