CID 6451962

43146-97-0

Structural Information

Molecular Formula
C22H46O
SMILES
CCCCCCCCCCCOCCCCCCCCCCC
InChI
InChI=1S/C22H46O/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
TXYKVMGAIGVXFY-UHFFFAOYSA-N
Compound name
1-undecoxyundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3161
Patents

326.35486 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.362136 194.4
[M+Na]+ 349.344078 195.0
[M-H]- 325.347584 191.6
[M+NH4]+ 344.388683 208.9
[M+K]+ 365.318018 191.1
[M+H-H2O]+ 309.352120 186.9
[M+HCOO]- 371.353061 213.1
[M+CH3COO]- 385.368711 217.4
[M+Na-2H]- 347.329526 192.9
[M]+ 326.35431142 203.3
[M]- 326.35540858 203.3
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