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]+ 262.128526 158.4
[M+Na]+ 284.110468 161.0
[M-H]- 260.113974 157.5
[M+NH4]+ 279.155073 172.6
[M+K]+ 300.084408 161.5
[M+H-H2O]+ 244.118510 153.4
[M+HCOO]- 306.119451 172.0
[M+CH3COO]- 320.135101 190.9
[M+Na-2H]- 282.095916 159.7
[M]+ 261.12070142 155.2
[M]- 261.12179858 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.