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]+ 207.09168 160.3
[M+Na]+ 229.07362 171.6
[M-H]- 205.07712 163.9
[M+NH4]+ 224.11822 173.6
[M+K]+ 245.04756 164.3
[M+H-H2O]+ 189.08166 145.3
[M+HCOO]- 251.08260 172.5
[M+CH3COO]- 265.09825 168.0
[M+Na-2H]- 227.05907 163.4
[M]+ 206.08385 152.7
[M]- 206.08495 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.