CID 82394

N-(2-aminoethyl)dodecanamide

Structural Information

Molecular Formula
C14H30N2O
SMILES
CCCCCCCCCCCC(=O)NCCN
InChI
InChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h2-13,15H2,1H3,(H,16,17)
InChIKey
DESVYRJXTAYBFA-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

231
Patents

242.23581 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.24309 165.6
[M+Na]+ 265.22503 167.8
[M-H]- 241.22853 163.8
[M+NH4]+ 260.26963 182.3
[M+K]+ 281.19897 165.4
[M+H-H2O]+ 225.23307 158.6
[M+HCOO]- 287.23401 187.5
[M+CH3COO]- 301.24966 201.7
[M+Na-2H]- 263.21048 166.4
[M]+ 242.23526 167.2
[M]- 242.23636 167.2
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