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

12041
Patents

260.2504 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.257676 169.8
[M+Na]+ 283.239618 173.0
[M-H]- 259.243124 171.4
[M+NH4]+ 278.284223 186.7
[M+K]+ 299.213558 168.5
[M+H-H2O]+ 243.247660 162.3
[M+HCOO]- 305.248601 191.0
[M+CH3COO]- 319.264251 201.8
[M+Na-2H]- 281.225066 172.6
[M]+ 260.24985142 173.4
[M]- 260.25094858 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

literature stripe

Patent stripe

patents stripe