CID 56936185

5,17-dimethylpentacosane

Structural Information

Molecular Formula
C27H56
SMILES
CCCCCCCCC(C)CCCCCCCCCCCC(C)CCCC
InChI
InChI=1S/C27H56/c1-5-7-9-10-16-19-24-27(4)25-21-18-15-13-11-12-14-17-20-23-26(3)22-8-6-2/h26-27H,5-25H2,1-4H3
InChIKey
CMYHRIYCOQTQRW-UHFFFAOYSA-N
Compound name
5,17-dimethylpentacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

380.4382 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.44548 215.3
[M+Na]+ 403.42742 213.4
[M-H]- 379.43092 211.7
[M+NH4]+ 398.47202 227.5
[M+K]+ 419.40136 208.5
[M+H-H2O]+ 363.43546 207.3
[M+HCOO]- 425.43640 230.1
[M+CH3COO]- 439.45205 231.7
[M+Na-2H]- 401.41287 208.5
[M]+ 380.43765 223.3
[M]- 380.43875 223.3
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