CID 3023615

94110-15-3

Structural Information

Molecular Formula
C10H21N2O3
SMILES
C[N+](C)(C)CC(COCNC(=O)C=C)O
InChI
InChI=1S/C10H20N2O3/c1-5-10(14)11-8-15-7-9(13)6-12(2,3)4/h5,9,13H,1,6-8H2,2-4H3/p+1
InChIKey
GNCCNIQTPKRLPJ-UHFFFAOYSA-O
Compound name
[2-hydroxy-3-[(prop-2-enoylamino)methoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.15521 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.162486 148.1
[M+Na]+ 240.144428 152.4
[M-H]- 216.147934 148.3
[M+NH4]+ 235.189033 166.0
[M+K]+ 256.118368 146.9
[M+H-H2O]+ 200.152470 145.6
[M+HCOO]- 262.153411 169.8
[M+CH3COO]- 276.169061 187.1
[M+Na-2H]- 238.129876 154.5
[M]+ 217.15466142 148.4
[M]- 217.15575858 148.4
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

No patent data available for this compound.