CID 519223

Diundecylamine

Structural Information

Molecular Formula
C22H47N
SMILES
CCCCCCCCCCCNCCCCCCCCCCC
InChI
InChI=1S/C22H47N/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3
InChIKey
NKGSHSILLGXYDW-UHFFFAOYSA-N
Compound name
N-undecylundecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1282
Patents

325.37085 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.37813 194.5
[M+Na]+ 348.36007 194.2
[M-H]- 324.36357 191.6
[M+NH4]+ 343.40467 208.7
[M+K]+ 364.33401 189.7
[M+H-H2O]+ 308.36811 186.6
[M+HCOO]- 370.36905 214.0
[M+CH3COO]- 384.38470 220.3
[M+Na-2H]- 346.34552 193.3
[M]+ 325.37030 201.1
[M]- 325.37140 201.1
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

No patent data available for this compound.