CID 16950

L-argininosuccinic acid

Structural Information

Molecular Formula
C10H18N4O6
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1
InChIKey
KDZOASGQNOPSCU-WDSKDSINSA-N
Compound name
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

199
References

4387
Patents

290.12262 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12990 165.5
[M+Na]+ 313.11184 164.6
[M+NH4]+ 308.15644 165.6
[M+K]+ 329.08578 167.4
[M-H]- 289.11534 159.8
[M+Na-2H]- 311.09729 160.8
[M]+ 290.12207 162.3
[M]- 290.12317 162.3
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

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