CID 137809

3055-14-9

Structural Information

Molecular Formula
C13H20
SMILES
CC1=CC(=CC(=C1)C(C)C)C(C)C
InChI
InChI=1S/C13H20/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-10H,1-5H3
InChIKey
SOALUUXENHDLMW-UHFFFAOYSA-N
Compound name
1-methyl-3,5-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

176.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.16378 141.8
[M+Na]+ 199.14572 155.1
[M+NH4]+ 194.19032 151.2
[M+K]+ 215.11966 148.1
[M-H]- 175.14922 144.9
[M+Na-2H]- 197.13117 148.5
[M]+ 176.15595 144.7
[M]- 176.15705 144.7
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