CID 92674

57125-50-5

Structural Information

Molecular Formula
C25H33NO
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3
InChIKey
WYSZDBDWXPAHDS-UHFFFAOYSA-N
Compound name
4-(4-dodecoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

363.25623 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26351 191.9
[M+Na]+ 386.24545 198.5
[M-H]- 362.24895 195.7
[M+NH4]+ 381.29005 203.1
[M+K]+ 402.21939 190.5
[M+H-H2O]+ 346.25349 176.4
[M+HCOO]- 408.25443 209.3
[M+CH3COO]- 422.27008 228.4
[M+Na-2H]- 384.23090 192.4
[M]+ 363.25568 191.2
[M]- 363.25678 191.2
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