CID 292291

11-pentan-3-ylhenicosane

Structural Information

Molecular Formula
C26H54
SMILES
CCCCCCCCCCC(CCCCCCCCCC)C(CC)CC
InChI
InChI=1S/C26H54/c1-5-9-11-13-15-17-19-21-23-26(25(7-3)8-4)24-22-20-18-16-14-12-10-6-2/h25-26H,5-24H2,1-4H3
InChIKey
YAOSHAWMYFELSJ-UHFFFAOYSA-N
Compound name
11-pentan-3-ylhenicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

366.42255 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.429826 210.9
[M+Na]+ 389.411768 209.4
[M-H]- 365.415274 207.5
[M+NH4]+ 384.456373 223.7
[M+K]+ 405.385708 204.8
[M+H-H2O]+ 349.419810 203.1
[M+HCOO]- 411.420751 226.0
[M+CH3COO]- 425.436401 228.8
[M+Na-2H]- 387.397216 204.6
[M]+ 366.42200142 218.5
[M]- 366.42309858 218.5
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