CID 91261304

15-pentylhentriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCC(CCCCC)CCCCCCCCCCCCCC
InChI
InChI=1S/C36H74/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-32-35-36(33-30-9-6-3)34-31-28-26-24-22-19-17-15-13-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey
PHMNCSCQYXEETF-UHFFFAOYSA-N
Compound name
15-pentylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

506.57904 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.58632 252.4
[M+Na]+ 529.56826 259.3
[M-H]- 505.57176 231.7
[M+NH4]+ 524.61286 250.0
[M+K]+ 545.54220 239.2
[M+H-H2O]+ 489.57630 242.5
[M+HCOO]- 551.57724 259.5
[M+CH3COO]- 565.59289 256.8
[M+Na-2H]- 527.55371 242.2
[M]+ 506.57849 254.8
[M]- 506.57959 254.8
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

patents stripe