CID 44152047

N5-(aminocarbonyl)-n2-formyl-l-ornithine

Structural Information

Molecular Formula
C7H13N3O4
SMILES
C(C[C@@H](C(=O)O)NC=O)CNC(=O)N
InChI
InChI=1S/C7H13N3O4/c8-7(14)9-3-1-2-5(6(12)13)10-4-11/h4-5H,1-3H2,(H,10,11)(H,12,13)(H3,8,9,14)/t5-/m0/s1
InChIKey
ZKAPYXOGIYHULU-YFKPBYRVSA-N
Compound name
(2S)-5-(carbamoylamino)-2-formamidopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0906 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.097876 143.7
[M+Na]+ 226.079818 147.3
[M-H]- 202.083324 141.7
[M+NH4]+ 221.124423 160.1
[M+K]+ 242.053758 147.3
[M+H-H2O]+ 186.087860 137.1
[M+HCOO]- 248.088801 166.4
[M+CH3COO]- 262.104451 189.8
[M+Na-2H]- 224.065266 145.4
[M]+ 203.09005142 141.3
[M]- 203.09114858 141.3
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.