CID 21259

5186-68-5

Structural Information

Molecular Formula
C14H22
SMILES
CC1=CC(=C(C=C1C(C)C)C(C)C)C
InChI
InChI=1S/C14H22/c1-9(2)13-8-14(10(3)4)12(6)7-11(13)5/h7-10H,1-6H3
InChIKey
PUPZFBLFGPJICA-UHFFFAOYSA-N
Compound name
1,5-dimethyl-2,4-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.17215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 145.9
[M+Na]+ 213.16137 159.4
[M+NH4]+ 208.20597 155.2
[M+K]+ 229.13531 152.4
[M-H]- 189.16487 149.1
[M+Na-2H]- 211.14682 152.2
[M]+ 190.17160 148.9
[M]- 190.17270 148.9
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