CID 134820550

Chebi:142972

Structural Information

Molecular Formula
C11H18N2O8
SMILES
C(C[C@H](C(=O)O)N)CNC(=O)CC(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C11H18N2O8/c12-6(9(17)18)2-1-3-13-7(14)4-11(21,10(19)20)5-8(15)16/h6,21H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,11?/m1/s1
InChIKey
FFFKYGCGRTUBJH-TZRNXQDGSA-N
Compound name
2-[2-[[(4R)-4-amino-4-carboxybutyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10632 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11360 164.8
[M+Na]+ 329.09554 165.9
[M-H]- 305.09904 158.2
[M+NH4]+ 324.14014 168.1
[M+K]+ 345.06948 166.3
[M+H-H2O]+ 289.10358 158.7
[M+HCOO]- 351.10452 167.5
[M+CH3COO]- 365.12017 200.7
[M+Na-2H]- 327.08099 162.3
[M]+ 306.10577 162.4
[M]- 306.10687 162.4
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.