CID 71544

68345-22-2

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)COC(CC1=CC=CC=C1)OCC(C)C
InChI
InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKey
IORFKGJOBOCHPX-UHFFFAOYSA-N
Compound name
2,2-bis(2-methylpropoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

158
Patents

250.19328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 164.1
[M+Na]+ 273.18250 167.7
[M-H]- 249.18600 166.6
[M+NH4]+ 268.22710 181.1
[M+K]+ 289.15644 166.5
[M+H-H2O]+ 233.19054 157.1
[M+HCOO]- 295.19148 183.8
[M+CH3COO]- 309.20713 199.0
[M+Na-2H]- 271.16795 164.7
[M]+ 250.19273 167.6
[M]- 250.19383 167.6
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