CID 74138

1-docosene

Structural Information

Molecular Formula
C22H44
SMILES
CCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
InChIKey
SPURMHFLEKVAAS-UHFFFAOYSA-N
Compound name
docos-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

7464
Patents

308.3443 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.35158 189.4
[M+Na]+ 331.33352 190.3
[M-H]- 307.33702 186.7
[M+NH4]+ 326.37812 204.6
[M+K]+ 347.30746 185.3
[M+H-H2O]+ 291.34156 182.2
[M+HCOO]- 353.34250 208.1
[M+CH3COO]- 367.35815 214.8
[M+Na-2H]- 329.31897 188.0
[M]+ 308.34375 196.1
[M]- 308.34485 196.1
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