CID 25137932

N(2)-(3-carboxylatopropionyl)-l-citrullinate

Structural Information

Molecular Formula
C10H17N3O6
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=O)N
InChI
InChI=1S/C10H17N3O6/c11-10(19)12-5-1-2-6(9(17)18)13-7(14)3-4-8(15)16/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H3,11,12,19)/t6-/m0/s1
InChIKey
ZSZFGMMEPZVGMH-LURJTMIESA-N
Compound name
(2S)-5-(carbamoylamino)-2-(3-carboxypropanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.11172 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 162.3
[M+Na]+ 298.10094 163.3
[M+NH4]+ 293.14554 163.2
[M+K]+ 314.07488 164.6
[M-H]- 274.10444 156.7
[M+Na-2H]- 296.08639 158.6
[M]+ 275.11117 159.5
[M]- 275.11227 159.5
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.