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]+ 178.07100 137.0
[M+Na]+ 200.05294 141.4
[M-H]- 176.05644 133.0
[M+NH4]+ 195.09754 154.0
[M+K]+ 216.02688 141.7
[M+H-H2O]+ 160.06098 132.0
[M+HCOO]- 222.06192 154.8
[M+CH3COO]- 236.07757 176.7
[M+Na-2H]- 198.03839 137.5
[M]+ 177.06317 134.8
[M]- 177.06427 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.