CID 294549

Ether, dodecyl phenyl

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCCCCCCCCCOC1=CC=CC=C1
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
InChIKey
CRBREIOFEDVXGE-UHFFFAOYSA-N
Compound name
dodecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2949
Patents

262.22968 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 168.8
[M+Na]+ 285.21890 172.3
[M-H]- 261.22240 170.5
[M+NH4]+ 280.26350 185.5
[M+K]+ 301.19284 168.6
[M+H-H2O]+ 245.22694 161.3
[M+HCOO]- 307.22788 190.5
[M+CH3COO]- 321.24353 200.6
[M+Na-2H]- 283.20435 172.0
[M]+ 262.22913 173.4
[M]- 262.23023 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe