CID 25211

2,5-diisopropyl-p-xylene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
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 143.8
[M+Na]+ 213.16137 151.5
[M-H]- 189.16487 147.9
[M+NH4]+ 208.20597 164.5
[M+K]+ 229.13531 149.6
[M+H-H2O]+ 173.16941 138.6
[M+HCOO]- 235.17035 164.8
[M+CH3COO]- 249.18600 191.8
[M+Na-2H]- 211.14682 145.1
[M]+ 190.17160 145.5
[M]- 190.17270 145.5
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