CID 84820

Benzene, 1,3-diisopropyl-5-ethyl-

Structural Information

Molecular Formula
C14H22
SMILES
CCC1=CC(=CC(=C1)C(C)C)C(C)C
InChI
InChI=1S/C14H22/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h7-11H,6H2,1-5H3
InChIKey
HWWKORYFZUHZKW-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

117
Patents

190.17215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.179426 145.2
[M+Na]+ 213.161368 152.0
[M-H]- 189.164874 148.9
[M+NH4]+ 208.205973 165.5
[M+K]+ 229.135308 149.9
[M+H-H2O]+ 173.169410 139.7
[M+HCOO]- 235.170351 166.2
[M+CH3COO]- 249.186001 190.6
[M+Na-2H]- 211.146816 147.1
[M]+ 190.17160142 146.5
[M]- 190.17269858 146.5
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