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

6042
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 223.9
[M+Na]+ 443.45872 221.5
[M-H]- 419.46222 219.5
[M+NH4]+ 438.50332 234.5
[M+K]+ 459.43266 214.3
[M+H-H2O]+ 403.46676 215.1
[M+HCOO]- 465.46770 239.9
[M+CH3COO]- 479.48335 238.3
[M+Na-2H]- 441.44417 218.3
[M]+ 420.46895 233.7
[M]- 420.47005 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