CID 5747875

Brn 4192568

Structural Information

Molecular Formula
C11H19NO6
SMILES
C[C@@]1(CCOC[C@@H]1N[C@@H](CCC(=O)O)C(=O)O)O
InChI
InChI=1S/C11H19NO6/c1-11(17)4-5-18-6-8(11)12-7(10(15)16)2-3-9(13)14/h7-8,12,17H,2-6H2,1H3,(H,13,14)(H,15,16)/t7-,8-,11-/m0/s1
InChIKey
QZGUTSVMZVLRRN-LAEOZQHASA-N
Compound name
(2S)-2-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12125 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 158.4
[M+Na]+ 284.11047 161.0
[M-H]- 260.11397 157.5
[M+NH4]+ 279.15507 172.6
[M+K]+ 300.08441 161.5
[M+H-H2O]+ 244.11851 153.4
[M+HCOO]- 306.11945 172.0
[M+CH3COO]- 320.13510 190.9
[M+Na-2H]- 282.09592 159.7
[M]+ 261.12070 155.2
[M]- 261.12180 155.2
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.