CID 56936186

5,19-dimethylpentacosane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.