CID 519365

1,3-dipropylbenzene

Structural Information

Molecular Formula
C12H18
SMILES
CCCC1=CC(=CC=C1)CCC
InChI
InChI=1S/C12H18/c1-3-6-11-8-5-9-12(10-11)7-4-2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKey
GWTBXGSNWKXTPX-UHFFFAOYSA-N
Compound name
1,3-dipropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1565
Patents

162.14085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14813 137.2
[M+Na]+ 185.13007 151.1
[M+NH4]+ 180.17467 147.1
[M+K]+ 201.10401 142.4
[M-H]- 161.13357 140.7
[M+Na-2H]- 183.11552 145.2
[M]+ 162.14030 140.3
[M]- 162.14140 140.3
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