CID 91365

Benzene, tetrapropylene-

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
3
Annotation Hits

0
References

255
Patents

246.23476 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.242036 163.1
[M+Na]+ 269.223978 169.6
[M-H]- 245.227484 166.2
[M+NH4]+ 264.268583 181.6
[M+K]+ 285.197918 165.6
[M+H-H2O]+ 229.232020 156.7
[M+HCOO]- 291.232961 184.7
[M+CH3COO]- 305.248611 202.1
[M+Na-2H]- 267.209426 164.5
[M]+ 246.23421142 167.5
[M]- 246.23530858 167.5
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