CID 25145403

Asn-asp

Structural Information

Molecular Formula
C8H13N3O6
SMILES
C([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N)C(=O)N
InChI
InChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)/t3-,4-/m0/s1
InChIKey
HZYFHQOWCFUSOV-IMJSIDKUSA-N
Compound name
(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3054
Patents

247.08043 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08771 153.0
[M+Na]+ 270.06965 155.3
[M-H]- 246.07315 149.2
[M+NH4]+ 265.11425 166.2
[M+K]+ 286.04359 156.3
[M+H-H2O]+ 230.07769 146.3
[M+HCOO]- 292.07863 171.0
[M+CH3COO]- 306.09428 197.2
[M+Na-2H]- 268.05510 149.2
[M]+ 247.07988 148.4
[M]- 247.08098 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe