CID 105379

Benzene, 1,2-dimethyltetrapropylene-

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCCCCCCC1=CC=CC(=C1C)C
InChI
InChI=1S/C20H34/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18(2)19(20)3/h14-15,17H,4-13,16H2,1-3H3
InChIKey
GAWUIKLWUQFZON-UHFFFAOYSA-N
Compound name
1-dodecyl-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

274.26605 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 173.2
[M+Na]+ 297.25527 177.8
[M-H]- 273.25877 175.4
[M+NH4]+ 292.29987 190.2
[M+K]+ 313.22921 173.2
[M+H-H2O]+ 257.26331 166.1
[M+HCOO]- 319.26425 194.0
[M+CH3COO]- 333.27990 207.0
[M+Na-2H]- 295.24072 174.1
[M]+ 274.26550 177.9
[M]- 274.26660 177.9
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