CID 87640

Dotriacont-1-ene

Structural Information

Molecular Formula
C32H64
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C32H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-32H2,2H3
InChIKey
WMRDPJYQERQCEP-UHFFFAOYSA-N
Compound name
dotriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

561
Patents

448.5008 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.50808 232.3
[M+Na]+ 471.49002 229.1
[M-H]- 447.49352 227.5
[M+NH4]+ 466.53462 232.3
[M+K]+ 487.46396 221.3
[M+H-H2O]+ 431.49806 223.2
[M+HCOO]- 493.49900 247.5
[M+CH3COO]- 507.51465 244.1
[M+Na-2H]- 469.47547 225.6
[M]+ 448.50025 242.8
[M]- 448.50135 242.8
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