CID 66914

Benzene, 1-dodecyl-4-methyl-

Structural Information

Molecular Formula
C19H32
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C
InChI
InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14-18(2)15-17-19/h14-17H,3-13H2,1-2H3
InChIKey
BOSMBEZWDZNQJQ-UHFFFAOYSA-N
Compound name
1-dodecyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1194
Patents

260.2504 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 169.3
[M+Na]+ 283.23962 173.4
[M-H]- 259.24312 171.3
[M+NH4]+ 278.28422 186.5
[M+K]+ 299.21356 169.0
[M+H-H2O]+ 243.24766 162.1
[M+HCOO]- 305.24860 190.5
[M+CH3COO]- 319.26425 202.9
[M+Na-2H]- 281.22507 171.4
[M]+ 260.24985 173.2
[M]- 260.25095 173.2
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