CID 11970505

Docosanenitrile

Structural Information

Molecular Formula
C22H43N
SMILES
CCCCCCCCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-21H2,1H3
InChIKey
HFTGJMVZTJBYLN-UHFFFAOYSA-N
Compound name
docosanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

321.33954 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.34682 179.2
[M+Na]+ 344.32876 182.6
[M-H]- 320.33226 177.6
[M+NH4]+ 339.37336 192.7
[M+K]+ 360.30270 178.1
[M+H-H2O]+ 304.33680 165.9
[M+HCOO]- 366.33774 195.2
[M+CH3COO]- 380.35339 225.3
[M+Na-2H]- 342.31421 179.2
[M]+ 321.33899 181.3
[M]- 321.34009 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe