CID 3019726

Ns00038436

Structural Information

Molecular Formula
C17H28O2
SMILES
CCOC(CCC1=CC=CC=C1C(C)(C)C)OCC
InChI
InChI=1S/C17H28O2/c1-6-18-16(19-7-2)13-12-14-10-8-9-11-15(14)17(3,4)5/h8-11,16H,6-7,12-13H2,1-5H3
InChIKey
IAMJHLCLDJWRQQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-(3,3-diethoxypropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 167.2
[M+Na]+ 287.198138 172.4
[M-H]- 263.201644 170.2
[M+NH4]+ 282.242743 184.4
[M+K]+ 303.172078 170.6
[M+H-H2O]+ 247.206180 160.8
[M+HCOO]- 309.207121 187.1
[M+CH3COO]- 323.222771 201.2
[M+Na-2H]- 285.183586 169.9
[M]+ 264.20837142 172.2
[M]- 264.20946858 172.2
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.