CID 20659

4537-13-7

Structural Information

Molecular Formula
C16H26
SMILES
CCCCCCCCC(C)C1=CC=CC=C1
InChI
InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKey
DDTJIQUCOLHYDL-UHFFFAOYSA-N
Compound name
decan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

218.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 156.7
[M+Na]+ 241.19267 160.9
[M-H]- 217.19617 159.0
[M+NH4]+ 236.23727 175.2
[M+K]+ 257.16661 157.7
[M+H-H2O]+ 201.20071 150.0
[M+HCOO]- 263.20165 177.9
[M+CH3COO]- 277.21730 193.5
[M+Na-2H]- 239.17812 159.9
[M]+ 218.20290 158.5
[M]- 218.20400 158.5
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

No patent data available for this compound.