CID 576122

(1-cyclopropyl-1-methylethyl)benzene

Structural Information

Molecular Formula
C12H16
SMILES
CC(C)(C1CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H16/c1-12(2,11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
IVDVVZZDOGDKGH-UHFFFAOYSA-N
Compound name
2-cyclopropylpropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.1252 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 139.0
[M+Na]+ 183.11442 153.6
[M+NH4]+ 178.15902 149.5
[M+K]+ 199.08836 147.6
[M-H]- 159.11792 149.8
[M+Na-2H]- 181.09987 150.4
[M]+ 160.12465 145.5
[M]- 160.12575 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.