CID 20444625

1-(2-butoxyethoxy)dodecane

Structural Information

Molecular Formula
C18H38O2
SMILES
CCCCCCCCCCCCOCCOCCCC
InChI
InChI=1S/C18H38O2/c1-3-5-7-8-9-10-11-12-13-14-16-20-18-17-19-15-6-4-2/h3-18H2,1-2H3
InChIKey
RLGUOVDYNWWLOD-UHFFFAOYSA-N
Compound name
1-(2-butoxyethoxy)dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

286.28717 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.29445 179.7
[M+Na]+ 309.27639 181.9
[M-H]- 285.27989 177.6
[M+NH4]+ 304.32099 195.7
[M+K]+ 325.25033 179.5
[M+H-H2O]+ 269.28443 172.7
[M+HCOO]- 331.28537 200.0
[M+CH3COO]- 345.30102 207.3
[M+Na-2H]- 307.26184 180.3
[M]+ 286.28662 188.5
[M]- 286.28772 188.5
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.