CID 24750

2-(dodecyloxy)ethanol

Structural Information

Molecular Formula
C14H30O2
SMILES
CCCCCCCCCCCCOCCO
InChI
InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3
InChIKey
SFNALCNOMXIBKG-UHFFFAOYSA-N
Compound name
2-dodecoxyethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1292
References

57310
Patents

230.22458 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.231856 162.1
[M+Na]+ 253.213798 165.5
[M-H]- 229.217304 159.4
[M+NH4]+ 248.258403 179.7
[M+K]+ 269.187738 163.2
[M+H-H2O]+ 213.221840 156.1
[M+HCOO]- 275.222781 182.2
[M+CH3COO]- 289.238431 192.6
[M+Na-2H]- 251.199246 164.3
[M]+ 230.22403142 167.4
[M]- 230.22512858 167.4
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