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
3
Annotation Hits

1
References

5738
Patents

420.4695 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.476776 223.9
[M+Na]+ 443.458718 221.5
[M-H]- 419.462224 219.5
[M+NH4]+ 438.503323 234.5
[M+K]+ 459.432658 214.3
[M+H-H2O]+ 403.466760 215.1
[M+HCOO]- 465.467701 239.9
[M+CH3COO]- 479.483351 238.3
[M+Na-2H]- 441.444166 218.3
[M]+ 420.46895142 233.7
[M]- 420.47004858 233.7
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