CID 171208

52828-97-4

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CC(=C)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C
InChI
InChI=1S/C13H28N2O2/c1-11(2)13(16)17-12(9-14(3,4)5)10-15(6,7)8/h12H,1,9-10H2,2-8H3/q+2
InChIKey
HUHSZRUBIFVBBA-UHFFFAOYSA-N
Compound name
trimethyl-[2-(2-methylprop-2-enoyloxy)-3-(trimethylazaniumyl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.21507 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 151.4
[M+Na]+ 267.204288 155.8
[M-H]- 243.207794 154.7
[M+NH4]+ 262.248893 169.7
[M+K]+ 283.178228 146.3
[M+H-H2O]+ 227.212330 152.2
[M+HCOO]- 289.213271 171.9
[M+CH3COO]- 303.228921 194.3
[M+Na-2H]- 265.189736 160.0
[M]+ 244.21452142 152.4
[M]- 244.21561858 152.4
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

patents stripe