CID 29524

19262-20-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

162.14085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14813 137.2
[M+Na]+ 185.13007 143.7
[M-H]- 161.13357 140.8
[M+NH4]+ 180.17467 158.3
[M+K]+ 201.10401 142.1
[M+H-H2O]+ 145.13811 132.1
[M+HCOO]- 207.13905 158.3
[M+CH3COO]- 221.15470 181.1
[M+Na-2H]- 183.11552 143.4
[M]+ 162.14030 137.1
[M]- 162.14140 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