CID 84820

1-ethyl-3,5-diisopropylbenzene

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

14
Patents

190.17215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 146.3
[M+Na]+ 213.16137 159.5
[M+NH4]+ 208.20597 155.6
[M+K]+ 229.13531 152.2
[M-H]- 189.16487 149.4
[M+Na-2H]- 211.14682 152.8
[M]+ 190.17160 149.2
[M]- 190.17270 149.2
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