CID 6428619

13-methylhexacosane

Structural Information

Molecular Formula
C27H56
SMILES
CCCCCCCCCCCCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C27H56/c1-4-6-8-10-12-14-16-18-20-22-24-26-27(3)25-23-21-19-17-15-13-11-9-7-5-2/h27H,4-26H2,1-3H3
InChIKey
NSLXOXFTFWLFLY-UHFFFAOYSA-N
Compound name
13-methylhexacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

380.4382 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.44548 214.3
[M+Na]+ 403.42742 212.6
[M-H]- 379.43092 210.6
[M+NH4]+ 398.47202 226.5
[M+K]+ 419.40136 207.3
[M+H-H2O]+ 363.43546 206.1
[M+HCOO]- 425.43640 230.1
[M+CH3COO]- 439.45205 231.0
[M+Na-2H]- 401.41287 208.8
[M]+ 380.43765 222.9
[M]- 380.43875 222.9
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