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]+ 245.22235 151.4
[M+Na]+ 267.20429 155.8
[M-H]- 243.20779 154.7
[M+NH4]+ 262.24889 169.7
[M+K]+ 283.17823 146.3
[M+H-H2O]+ 227.21233 152.2
[M+HCOO]- 289.21327 171.9
[M+CH3COO]- 303.22892 194.3
[M+Na-2H]- 265.18974 160.0
[M]+ 244.21452 152.4
[M]- 244.21562 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