CID 3465100

2,2-diphenylhexanenitrile

Structural Information

Molecular Formula
C18H19N
SMILES
CCCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H19N/c1-2-3-14-18(15-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,2-3,14H2,1H3
InChIKey
YCVKYTZJVXDWQF-UHFFFAOYSA-N
Compound name
2,2-diphenylhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

249.15175 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 166.1
[M+Na]+ 272.140968 174.3
[M-H]- 248.144474 170.7
[M+NH4]+ 267.185573 181.1
[M+K]+ 288.114908 167.6
[M+H-H2O]+ 232.149010 152.2
[M+HCOO]- 294.149951 183.9
[M+CH3COO]- 308.165601 206.5
[M+Na-2H]- 270.126416 171.4
[M]+ 249.15120142 160.8
[M]- 249.15229858 160.8
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

patents stripe