CID 58770

2-(11-undecenoylamido)ethyltrimethylammonium iodide

Structural Information

Molecular Formula
C16H33N2O
SMILES
C[N+](C)(C)CCNC(=O)CCCCCCCCC=C
InChI
InChI=1S/C16H32N2O/c1-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18(2,3)4/h5H,1,6-15H2,2-4H3/p+1
InChIKey
SHPYCNOSGFGCHS-UHFFFAOYSA-O
Compound name
trimethyl-[2-(undec-10-enoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.25928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.26656 169.8
[M+Na]+ 292.24850 172.5
[M-H]- 268.25200 170.3
[M+NH4]+ 287.29310 186.6
[M+K]+ 308.22244 164.9
[M+H-H2O]+ 252.25654 166.2
[M+HCOO]- 314.25748 191.6
[M+CH3COO]- 328.27313 203.4
[M+Na-2H]- 290.23395 174.6
[M]+ 269.25873 172.2
[M]- 269.25983 172.2
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.