CID 86250758

N2-oxalylarginine

Structural Information

Molecular Formula
C8H14N4O5
SMILES
C(CC(C(=O)O)NC(=O)C(=O)O)CN=C(N)N
InChI
InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11)
InChIKey
INOVTBRJCBIPOS-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-(oxaloamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

246.09642 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10370 153.9
[M+Na]+ 269.08564 156.1
[M-H]- 245.08914 151.4
[M+NH4]+ 264.13024 167.7
[M+K]+ 285.05958 157.0
[M+H-H2O]+ 229.09368 146.5
[M+HCOO]- 291.09462 175.1
[M+CH3COO]- 305.11027 200.2
[M+Na-2H]- 267.07109 152.0
[M]+ 246.09587 149.3
[M]- 246.09697 149.3
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

patents stripe