CID 571906

4-hexadecylaniline

Structural Information

Molecular Formula
C22H39N
SMILES
CCCCCCCCCCCCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20H,2-16,23H2,1H3
InChIKey
RBCCQATUVPNPGQ-UHFFFAOYSA-N
Compound name
4-hexadecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

407
Patents

317.30826 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.31554 187.1
[M+Na]+ 340.29748 189.0
[M-H]- 316.30098 187.8
[M+NH4]+ 335.34208 201.3
[M+K]+ 356.27142 183.4
[M+H-H2O]+ 300.30552 178.8
[M+HCOO]- 362.30646 207.6
[M+CH3COO]- 376.32211 215.9
[M+Na-2H]- 338.28293 186.8
[M]+ 317.30771 190.3
[M]- 317.30881 190.3
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