CID 109464

68555-28-2

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(C)CCOC(CC1=CC=CC=C1)OCCC(C)C
InChI
InChI=1S/C18H30O2/c1-15(2)10-12-19-18(20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3
InChIKey
SVLVFYGIGOCFCD-UHFFFAOYSA-N
Compound name
2,2-bis(3-methylbutoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

278.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 173.5
[M+Na]+ 301.213798 176.3
[M-H]- 277.217304 175.6
[M+NH4]+ 296.258403 189.3
[M+K]+ 317.187738 174.6
[M+H-H2O]+ 261.221840 166.1
[M+HCOO]- 323.222781 192.5
[M+CH3COO]- 337.238431 204.9
[M+Na-2H]- 299.199246 173.0
[M]+ 278.22403142 177.7
[M]- 278.22512858 177.7
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

patents stripe