CID 156989

1-nonacosene

Structural Information

Molecular Formula
C29H58
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-29H2,2H3
InChIKey
UBMJSQAFNUWJEG-UHFFFAOYSA-N
Compound name
nonacos-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1321
Patents

406.45386 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.46114 219.7
[M+Na]+ 429.44308 217.7
[M-H]- 405.44658 215.5
[M+NH4]+ 424.48768 230.8
[M+K]+ 445.41702 210.8
[M+H-H2O]+ 389.45112 211.1
[M+HCOO]- 451.45206 236.0
[M+CH3COO]- 465.46771 235.4
[M+Na-2H]- 427.42853 214.6
[M]+ 406.45331 229.1
[M]- 406.45441 229.1
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