CID 5747901

Brn 5822677

Structural Information

Molecular Formula
C10H16N2O6
SMILES
C[C@@H](C(=O)O)NC(=O)CCC(=O)N[C@@H](C)C(=O)O
InChI
InChI=1S/C10H16N2O6/c1-5(9(15)16)11-7(13)3-4-8(14)12-6(2)10(17)18/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t5-,6-/m0/s1
InChIKey
CDQKTSONICCRIS-WDSKDSINSA-N
Compound name
(2S)-2-[[4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10083 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 158.1
[M+Na]+ 283.09005 160.6
[M-H]- 259.09355 155.1
[M+NH4]+ 278.13465 171.9
[M+K]+ 299.06399 161.5
[M+H-H2O]+ 243.09809 151.9
[M+HCOO]- 305.09903 175.8
[M+CH3COO]- 319.11468 197.7
[M+Na-2H]- 281.07550 155.3
[M]+ 260.10028 157.1
[M]- 260.10138 157.1
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.