CID 3023715

O-(octadecyl)toluene

Structural Information

Molecular Formula
C25H44
SMILES
CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C
InChI
InChI=1S/C25H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-23-20-19-21-24(25)2/h19-21,23H,3-18,22H2,1-2H3
InChIKey
JJSNBRUUOSMXBN-UHFFFAOYSA-N
Compound name
1-methyl-2-octadecylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

344.3443 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.351576 196.4
[M+Na]+ 367.333518 197.9
[M-H]- 343.337024 197.2
[M+NH4]+ 362.378123 210.1
[M+K]+ 383.307458 192.0
[M+H-H2O]+ 327.341560 187.9
[M+HCOO]- 389.342501 215.5
[M+CH3COO]- 403.358151 220.7
[M+Na-2H]- 365.318966 195.2
[M]+ 344.34375142 202.5
[M]- 344.34484858 202.5
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

patents stripe