CID 44149933

93804-73-0

Structural Information

Molecular Formula
C15H32N2O2
SMILES
CC[N+](C)(CC)CC[N+](C)(C)CCOC(=O)C(=C)C
InChI
InChI=1S/C15H32N2O2/c1-8-17(7,9-2)11-10-16(5,6)12-13-19-15(18)14(3)4/h3,8-13H2,1-2,4-7H3/q+2
InChIKey
OCEMXGUPMSDKPC-UHFFFAOYSA-N
Compound name
2-[diethyl(methyl)azaniumyl]ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.24637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.253646 162.5
[M+Na]+ 295.235588 166.3
[M-H]- 271.239094 165.3
[M+NH4]+ 290.280193 207.3
[M+K]+ 311.209528 155.8
[M+H-H2O]+ 255.243630 162.7
[M+HCOO]- 317.244571 223.1
[M+CH3COO]- 331.260221 199.6
[M+Na-2H]- 293.221036 171.1
[M]+ 272.24582142 164.9
[M]- 272.24691858 164.9
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.