CID 118935

36268-65-2

Structural Information

Molecular Formula
C20H31NO
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCC#N)C(C)(C)CC
InChI
InChI=1S/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3
InChIKey
JEWCXPGDBLFXNE-UHFFFAOYSA-N
Compound name
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.24057 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 174.5
[M+Na]+ 324.22979 185.1
[M+NH4]+ 319.27439 178.1
[M+K]+ 340.20373 175.3
[M-H]- 300.23329 168.4
[M+Na-2H]- 322.21524 176.8
[M]+ 301.24002 173.7
[M]- 301.24112 173.7
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

patents stripe