CID 11345

25321-09-9

Structural Information

Molecular Formula
C12H18
SMILES
CC(C)C1=CC=CC=C1C(C)C
InChI
InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3
InChIKey
OKIRBHVFJGXOIS-UHFFFAOYSA-N
Compound name
1,2-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

28485
Patents

162.14085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 136.9
[M+Na]+ 185.130068 143.5
[M-H]- 161.133574 140.6
[M+NH4]+ 180.174673 158.0
[M+K]+ 201.104008 142.0
[M+H-H2O]+ 145.138110 131.5
[M+HCOO]- 207.139051 158.5
[M+CH3COO]- 221.154701 183.4
[M+Na-2H]- 183.115516 140.5
[M]+ 162.14030142 137.1
[M]- 162.14139858 137.1
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