CID 87639

1-triacontene

Structural Information

Molecular Formula
C30H60
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3
InChIKey
WMZHDICSCDKPFS-UHFFFAOYSA-N
Compound name
triacont-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5267
Patents

420.4695 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.47678 222.7
[M+Na]+ 443.45872 229.5
[M+NH4]+ 438.50332 223.8
[M+K]+ 459.43266 216.7
[M-H]- 419.46222 222.2
[M+Na-2H]- 441.44417 221.6
[M]+ 420.46895 223.4
[M]- 420.47005 223.4
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