CID 170927

50862-24-3

Structural Information

Molecular Formula
C14H30N2O3
SMILES
CC(=C)C(=O)OCC[N+](C)(C)CC(C[N+](C)(C)C)O
InChI
InChI=1S/C14H30N2O3/c1-12(2)14(18)19-9-8-16(6,7)11-13(17)10-15(3,4)5/h13,17H,1,8-11H2,2-7H3/q+2
InChIKey
ULHDTIMTVHHYEF-UHFFFAOYSA-N
Compound name
[3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.22565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23293 160.0
[M+Na]+ 297.21487 163.4
[M-H]- 273.21837 161.5
[M+NH4]+ 292.25947 200.9
[M+K]+ 313.18881 153.2
[M+H-H2O]+ 257.22291 160.6
[M+HCOO]- 319.22385 213.3
[M+CH3COO]- 333.23950 196.2
[M+Na-2H]- 295.20032 167.8
[M]+ 274.22510 160.7
[M]- 274.22620 160.7
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.