CID 112768

61886-48-4

Structural Information

Molecular Formula
C16H35N2O
SMILES
CCCCCCCCC(=O)NCCC[N+](C)(C)CC
InChI
InChI=1S/C16H34N2O/c1-5-7-8-9-10-11-13-16(19)17-14-12-15-18(3,4)6-2/h5-15H2,1-4H3/p+1
InChIKey
FUEUCPLQWIAPHG-UHFFFAOYSA-O
Compound name
ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

271.27493 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.28221 170.3
[M+Na]+ 294.26415 179.1
[M+NH4]+ 289.30875 177.6
[M+K]+ 310.23809 173.0
[M-H]- 270.26765 171.9
[M+Na-2H]- 292.24960 173.1
[M]+ 271.27438 172.1
[M]- 271.27548 172.1
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.