CID 75566

Dinonyl ether

Structural Information

Molecular Formula
C18H38O
SMILES
CCCCCCCCCOCCCCCCCCC
InChI
InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
DKZRLCHWDNEKRH-UHFFFAOYSA-N
Compound name
1-nonoxynonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5225
Patents

270.29227 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.299546 176.7
[M+Na]+ 293.281488 178.9
[M-H]- 269.284994 174.7
[M+NH4]+ 288.326093 193.4
[M+K]+ 309.255428 176.0
[M+H-H2O]+ 253.289530 169.9
[M+HCOO]- 315.290471 196.7
[M+CH3COO]- 329.306121 205.5
[M+Na-2H]- 291.266936 177.3
[M]+ 270.29172142 184.0
[M]- 270.29281858 184.0
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