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

27
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

literature stripe

Patent stripe

patents stripe