CID 152231

5-diazo-4-oxonorvaline

Structural Information

Molecular Formula
C5H7N3O3
SMILES
C([C@@H](C(=O)O)N)C(=O)C=[N+]=[N-]
InChI
InChI=1S/C5H7N3O3/c6-4(5(10)11)1-3(9)2-8-7/h2,4H,1,6H2,(H,10,11)/t4-/m0/s1
InChIKey
FMHPSVZSLZOGKT-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-diazo-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

106
Patents

157.04874 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 129.4
[M+Na]+ 180.037958 134.9
[M-H]- 156.041464 129.3
[M+NH4]+ 175.082563 148.3
[M+K]+ 196.011898 130.0
[M+H-H2O]+ 140.046000 128.6
[M+HCOO]- 202.046941 155.0
[M+CH3COO]- 216.062591 173.7
[M+Na-2H]- 178.023406 134.7
[M]+ 157.04819142 124.2
[M]- 157.04928858 124.2
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