CID 576717

Tridecane, 2-methyl-2-phenyl-

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCCCCCC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C20H34/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)19-16-13-12-14-17-19/h12-14,16-17H,4-11,15,18H2,1-3H3
InChIKey
OTRFLMSAPMGKLY-UHFFFAOYSA-N
Compound name
2-methyltridecan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

274.26605 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 174.6
[M+Na]+ 297.255268 177.9
[M-H]- 273.258774 176.4
[M+NH4]+ 292.299873 191.1
[M+K]+ 313.229208 173.6
[M+H-H2O]+ 257.263310 167.6
[M+HCOO]- 319.264251 193.9
[M+CH3COO]- 333.279901 205.1
[M+Na-2H]- 295.240716 177.5
[M]+ 274.26550142 178.1
[M]- 274.26659858 178.1
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