CID 71728467

Car 18:2;o

Structural Information

Molecular Formula
C8H16NO4
SMILES
C[N+](C)(C)C[C@@H](CC(=O)O)OC=O
InChI
InChI=1S/C8H15NO4/c1-9(2,3)5-7(13-6-10)4-8(11)12/h6-7H,4-5H2,1-3H3/p+1/t7-/m1/s1
InChIKey
GJGICGQGFITWDE-SSDOTTSWSA-O
Compound name
[(2R)-3-carboxy-2-formyloxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.10793 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11521 138.0
[M+Na]+ 213.09715 144.0
[M-H]- 189.10065 138.6
[M+NH4]+ 208.14175 157.3
[M+K]+ 229.07109 139.5
[M+H-H2O]+ 173.10519 136.2
[M+HCOO]- 235.10613 159.6
[M+CH3COO]- 249.12178 178.8
[M+Na-2H]- 211.08260 145.4
[M]+ 190.10738 140.0
[M]- 190.10848 140.0
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.