CID 545609

13,17,21-trimethylpentatriacontane

Structural Information

Molecular Formula
C38H78
SMILES
CCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C38H78/c1-6-8-10-12-14-16-18-19-21-23-25-27-31-37(4)33-29-35-38(5)34-28-32-36(3)30-26-24-22-20-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3
InChIKey
WWWYYEDTJKBCOF-UHFFFAOYSA-N
Compound name
13,17,21-trimethylpentatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.61035 Da
Monoisotopic Mass

19.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.61763 258.6
[M+Na]+ 557.59957 265.1
[M-H]- 533.60307 239.2
[M+NH4]+ 552.64417 258.3
[M+K]+ 573.57351 268.8
[M+H-H2O]+ 517.60761 258.6
[M+HCOO]- 579.60855 259.3
[M+CH3COO]- 593.62420 263.7
[M+Na-2H]- 555.58502 242.9
[M]+ 534.60980 259.7
[M]- 534.61090 259.7
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

No patent data available for this compound.