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

12
Patents

249.15175 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 166.1
[M+Na]+ 272.14097 174.3
[M-H]- 248.14447 170.7
[M+NH4]+ 267.18557 181.1
[M+K]+ 288.11491 167.6
[M+H-H2O]+ 232.14901 152.2
[M+HCOO]- 294.14995 183.9
[M+CH3COO]- 308.16560 206.5
[M+Na-2H]- 270.12642 171.4
[M]+ 249.15120 160.8
[M]- 249.15230 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