CID 101061

59454-35-2

Structural Information

Molecular Formula
C23H29N
SMILES
CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h11-18H,2-10H2,1H3
InChIKey
GLGZJMAYDWXROS-UHFFFAOYSA-N
Compound name
4-(4-decylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

123
Patents

319.23 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 182.4
[M+Na]+ 342.21922 196.2
[M+NH4]+ 337.26382 187.6
[M+K]+ 358.19316 182.3
[M-H]- 318.22272 180.3
[M+Na-2H]- 340.20467 187.9
[M]+ 319.22945 183.2
[M]- 319.23055 183.2
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