CID 13880201

Triisopropylbenzene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)C(C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6/h7-12H,1-6H3
InChIKey
LGXAANYJEHLUEM-UHFFFAOYSA-N
Compound name
1,2,3-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3501
Patents

204.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.5
[M+Na]+ 227.17702 155.6
[M-H]- 203.18052 153.1
[M+NH4]+ 222.22162 169.2
[M+K]+ 243.15096 153.8
[M+H-H2O]+ 187.18506 143.9
[M+HCOO]- 249.18600 169.1
[M+CH3COO]- 263.20165 194.5
[M+Na-2H]- 225.16247 149.6
[M]+ 204.18725 150.6
[M]- 204.18835 150.6
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