CID 98361

4481-30-5

Structural Information

Molecular Formula
C11H16
SMILES
CC(C)C(C)C1=CC=CC=C1
InChI
InChI=1S/C11H16/c1-9(2)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey
NQRMTOKLHZNAQH-UHFFFAOYSA-N
Compound name
3-methylbutan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

688
Patents

148.1252 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 133.3
[M+Na]+ 171.11442 139.3
[M-H]- 147.11792 136.7
[M+NH4]+ 166.15902 154.6
[M+K]+ 187.08836 138.0
[M+H-H2O]+ 131.12246 127.8
[M+HCOO]- 193.12340 155.2
[M+CH3COO]- 207.13905 179.3
[M+Na-2H]- 169.09987 138.1
[M]+ 148.12465 132.7
[M]- 148.12575 132.7
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.