CID 165368713

Chebi:193083

Structural Information

Molecular Formula
C6H11NO5
SMILES
C[C@H](CC(=O)O)NC(C(=O)O)O
InChI
InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5?/m1/s1
InChIKey
JHNXGAXXJGEJGB-VXPOTGITSA-N
Compound name
(3R)-3-[[carboxy(hydroxy)methyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06372 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.070996 137.0
[M+Na]+ 200.052938 141.4
[M-H]- 176.056444 133.0
[M+NH4]+ 195.097543 154.0
[M+K]+ 216.026878 141.7
[M+H-H2O]+ 160.060980 132.0
[M+HCOO]- 222.061921 154.8
[M+CH3COO]- 236.077571 176.7
[M+Na-2H]- 198.038386 137.5
[M]+ 177.06317142 134.8
[M]- 177.06426858 134.8
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.