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]+ 507.586316 252.4
[M+Na]+ 529.568258 259.3
[M-H]- 505.571764 231.7
[M+NH4]+ 524.612863 250.0
[M+K]+ 545.542198 239.2
[M+H-H2O]+ 489.576300 242.5
[M+HCOO]- 551.577241 259.5
[M+CH3COO]- 565.592891 256.8
[M+Na-2H]- 527.553706 242.2
[M]+ 506.57849142 254.8
[M]- 506.57958858 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