CID 10197927

105612-79-1

Structural Information

Molecular Formula
C12H16O
SMILES
CC(C)(C)OC1=CC=CC(=C1)C=C
InChI
InChI=1S/C12H16O/c1-5-10-7-6-8-11(9-10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKey
LTGJSMARDKHZOY-UHFFFAOYSA-N
Compound name
1-ethenyl-3-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1002
Patents

176.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.7
[M+Na]+ 199.109338 146.8
[M-H]- 175.112844 142.7
[M+NH4]+ 194.153943 159.6
[M+K]+ 215.083278 144.6
[M+H-H2O]+ 159.117380 133.7
[M+HCOO]- 221.118321 161.3
[M+CH3COO]- 235.133971 182.4
[M+Na-2H]- 197.094786 145.5
[M]+ 176.11957142 140.4
[M]- 176.12066858 140.4
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

patents stripe