CID 9794112

2-methyl-2-phenyl-undecane

Structural Information

Molecular Formula
C14H22
SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C14H22/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKey
CQMDBLRKZWOZIW-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

744
Patents

190.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 147.8
[M+Na]+ 213.16137 160.3
[M+NH4]+ 208.20597 156.9
[M+K]+ 229.13531 153.4
[M-H]- 189.16487 149.9
[M+Na-2H]- 211.14682 155.2
[M]+ 190.17160 150.5
[M]- 190.17270 150.5
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