CID 31238

Tridecylbenzene

Structural Information

Molecular Formula
C19H32
SMILES
CCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3
InChIKey
MCVUKOYZUCWLQQ-UHFFFAOYSA-N
Compound name
tridecylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

12028
Patents

260.2504 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 169.8
[M+Na]+ 283.23962 173.0
[M-H]- 259.24312 171.4
[M+NH4]+ 278.28422 186.7
[M+K]+ 299.21356 168.5
[M+H-H2O]+ 243.24766 162.3
[M+HCOO]- 305.24860 191.0
[M+CH3COO]- 319.26425 201.8
[M+Na-2H]- 281.22507 172.6
[M]+ 260.24985 173.4
[M]- 260.25095 173.4
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

No patent data available for this compound.