CID 105843

67859-98-7

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(CC1=CC=C(C=C1)C(C)C)OCC
InChI
InChI=1S/C15H24O2/c1-5-16-15(17-6-2)11-13-7-9-14(10-8-13)12(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKey
OBKPLJKFWGCMTP-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 158.4
[M+Na]+ 259.16685 163.6
[M-H]- 235.17035 161.4
[M+NH4]+ 254.21145 176.3
[M+K]+ 275.14079 162.3
[M+H-H2O]+ 219.17489 151.8
[M+HCOO]- 281.17583 179.4
[M+CH3COO]- 295.19148 196.3
[M+Na-2H]- 257.15230 160.1
[M]+ 236.17708 162.5
[M]- 236.17818 162.5
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.