CID 84218

1-docosanamine

Structural Information

Molecular Formula
C22H47N
SMILES
CCCCCCCCCCCCCCCCCCCCCCN
InChI
InChI=1S/C22H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-23H2,1H3
InChIKey
VPNOHCYAOXWMAR-UHFFFAOYSA-N
Compound name
docosan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

5449
Patents

325.37085 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.378126 194.7
[M+Na]+ 348.360068 194.4
[M-H]- 324.363574 191.3
[M+NH4]+ 343.404673 208.6
[M+K]+ 364.334008 189.5
[M+H-H2O]+ 308.368110 186.8
[M+HCOO]- 370.369051 213.5
[M+CH3COO]- 384.384701 219.6
[M+Na-2H]- 346.345516 192.4
[M]+ 325.37030142 200.2
[M]- 325.37139858 200.2
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