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
2
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 171.4
[M+Na]+ 294.26415 173.8
[M-H]- 270.26765 171.8
[M+NH4]+ 289.30875 188.2
[M+K]+ 310.23809 166.8
[M+H-H2O]+ 254.27219 167.7
[M+HCOO]- 316.27313 192.9
[M+CH3COO]- 330.28878 204.5
[M+Na-2H]- 292.24960 176.1
[M]+ 271.27438 174.5
[M]- 271.27548 174.5
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.