CID 91365

1,2,3,5-tetrapropylbenzene

Structural Information

Molecular Formula
C18H30
SMILES
CCCC1=CC(=C(C(=C1)CCC)CCC)CCC
InChI
InChI=1S/C18H30/c1-5-9-15-13-16(10-6-2)18(12-8-4)17(14-15)11-7-3/h13-14H,5-12H2,1-4H3
InChIKey
NYIQECIYDUSNRC-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrapropylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

246.23476 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 163.6
[M+Na]+ 269.22398 177.0
[M+NH4]+ 264.26858 172.5
[M+K]+ 285.19792 167.4
[M-H]- 245.22748 167.0
[M+Na-2H]- 267.20943 169.6
[M]+ 246.23421 166.7
[M]- 246.23531 166.7
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