CID 2825904

4949-02-4

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

11
Patents

206.0844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.091676 160.3
[M+Na]+ 229.073618 171.6
[M-H]- 205.077124 163.9
[M+NH4]+ 224.118223 173.6
[M+K]+ 245.047558 164.3
[M+H-H2O]+ 189.081660 145.3
[M+HCOO]- 251.082601 172.5
[M+CH3COO]- 265.098251 168.0
[M+Na-2H]- 227.059066 163.4
[M]+ 206.08385142 152.7
[M]- 206.08494858 152.7
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