CID 43529

Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, acetate, (d)-

Structural Information

Molecular Formula
C10H20NO4
SMILES
CC(=O)O[C@H](CC(=O)OC)C[N+](C)(C)C
InChI
InChI=1S/C10H20NO4/c1-8(12)15-9(6-10(13)14-5)7-11(2,3)4/h9H,6-7H2,1-5H3/q+1/t9-/m1/s1
InChIKey
PUMSMJPPEXDBGN-SECBINFHSA-N
Compound name
[(2R)-2-acetyloxy-4-methoxy-4-oxobutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13924 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.146516 146.7
[M+Na]+ 241.128458 152.4
[M-H]- 217.131964 148.6
[M+NH4]+ 236.173063 165.8
[M+K]+ 257.102398 148.8
[M+H-H2O]+ 201.136500 144.6
[M+HCOO]- 263.137441 168.4
[M+CH3COO]- 277.153091 187.0
[M+Na-2H]- 239.113906 152.5
[M]+ 218.13869142 150.6
[M]- 218.13978858 150.6
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.