CID 311967

Benzene, (3-octylundecyl)-

Structural Information

Molecular Formula
C25H44
SMILES
CCCCCCCCC(CCCCCCCC)CCC1=CC=CC=C1
InChI
InChI=1S/C25H44/c1-3-5-7-9-11-14-18-24(19-15-12-10-8-6-4-2)22-23-25-20-16-13-17-21-25/h13,16-17,20-21,24H,3-12,14-15,18-19,22-23H2,1-2H3
InChIKey
YFDREPVYVBGJDD-UHFFFAOYSA-N
Compound name
3-octylundecylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.3443 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.351576 197.9
[M+Na]+ 367.333518 198.1
[M-H]- 343.337024 198.3
[M+NH4]+ 362.378123 211.1
[M+K]+ 383.307458 192.6
[M+H-H2O]+ 327.341560 189.2
[M+HCOO]- 389.342501 215.9
[M+CH3COO]- 403.358151 220.3
[M+Na-2H]- 365.318966 196.0
[M]+ 344.34375142 202.9
[M]- 344.34484858 202.9
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