CID 9087

6-diazo-5-oxo-l-norleucine

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C(CC(=O)C=[N+]=[N-])[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)/t5-/m0/s1
InChIKey
YCWQAMGASJSUIP-YFKPBYRVSA-N
Compound name
(2S)-2-amino-6-diazo-5-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

403
References

30131
Patents

171.06439 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 134.2
[M+Na]+ 194.053608 139.2
[M-H]- 170.057114 133.9
[M+NH4]+ 189.098213 152.5
[M+K]+ 210.027548 134.1
[M+H-H2O]+ 154.061650 133.2
[M+HCOO]- 216.062591 159.4
[M+CH3COO]- 230.078241 176.8
[M+Na-2H]- 192.039056 139.0
[M]+ 171.06384142 129.3
[M]- 171.06493858 129.3
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

patents stripe