CID 138394841

Dtxsid2051215

Structural Information

Molecular Formula
C14H31N3O2
SMILES
CC(=C)C(=O)NCC[N+](C)(C)CC(C[N+](C)(C)C)O
InChI
InChI=1S/C14H30N3O2/c1-12(2)14(19)15-8-9-17(6,7)11-13(18)10-16(3,4)5/h13,18H,1,8-11H2,2-7H3/q+1/p+1
InChIKey
MUVFTFXTRNALGN-UHFFFAOYSA-O
Compound name
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.24164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.24892 159.1
[M+Na]+ 296.23086 161.7
[M-H]- 272.23436 160.6
[M+NH4]+ 291.27546 210.0
[M+K]+ 312.20480 151.1
[M+H-H2O]+ 256.23890 159.4
[M+HCOO]- 318.23984 221.9
[M+CH3COO]- 332.25549 199.0
[M+Na-2H]- 294.21631 167.2
[M]+ 273.24109 157.6
[M]- 273.24219 157.6
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.