CID 15872109

8-methyl-3-hentriacontene

Structural Information

Molecular Formula
C32H64
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC/C=C/CC
InChI
InChI=1S/C32H64/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32(3)30-28-26-9-7-5-2/h7,9,32H,4-6,8,10-31H2,1-3H3/b9-7+
InChIKey
NEIFCRYWKMLIFK-VQHVLOKHSA-N
Compound name
(E)-8-methylhentriacont-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.5008 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.50808 234.1
[M+Na]+ 471.49002 230.8
[M-H]- 447.49352 229.5
[M+NH4]+ 466.53462 233.8
[M+K]+ 487.46396 223.5
[M+H-H2O]+ 431.49806 225.1
[M+HCOO]- 493.49900 245.2
[M+CH3COO]- 507.51465 244.1
[M+Na-2H]- 469.47547 226.1
[M]+ 448.50025 243.9
[M]- 448.50135 243.9
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

No patent data available for this compound.