CID 56936178

4,6,8,10,16-pentamethyldocosane

Structural Information

Molecular Formula
C27H56
SMILES
CCCCCCC(C)CCCCCC(C)CC(C)CC(C)CC(C)CCC
InChI
InChI=1S/C27H56/c1-8-10-11-13-17-23(3)18-14-12-15-19-25(5)21-27(7)22-26(6)20-24(4)16-9-2/h23-27H,8-22H2,1-7H3
InChIKey
VVDSINUIUNMYHT-UHFFFAOYSA-N
Compound name
4,6,8,10,16-pentamethyldocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

380.4382 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.44548 216.2
[M+Na]+ 403.42742 213.9
[M-H]- 379.43092 213.0
[M+NH4]+ 398.47202 228.3
[M+K]+ 419.40136 210.3
[M+H-H2O]+ 363.43546 208.7
[M+HCOO]- 425.43640 228.1
[M+CH3COO]- 439.45205 234.0
[M+Na-2H]- 401.41287 205.8
[M]+ 380.43765 222.2
[M]- 380.43875 222.2
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