CID 56936148

13,17-dimethyl-1-pentatriacontene

Structural Information

Molecular Formula
C37H74
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCC=C
InChI
InChI=1S/C37H74/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-33-37(4)35-31-34-36(3)32-29-27-25-23-16-14-12-10-8-6-2/h6,36-37H,2,5,7-35H2,1,3-4H3
InChIKey
XOTSPJNHXSERLP-UHFFFAOYSA-N
Compound name
13,17-dimethylpentatriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

518.57904 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.58632 253.0
[M+Na]+ 541.56826 259.7
[M-H]- 517.57176 233.1
[M+NH4]+ 536.61286 251.4
[M+K]+ 557.54220 262.1
[M+H-H2O]+ 501.57630 246.2
[M+HCOO]- 563.57724 257.1
[M+CH3COO]- 577.59289 259.6
[M+Na-2H]- 539.55371 237.6
[M]+ 518.57849 254.1
[M]- 518.57959 254.1
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