CID 66519945

333366-22-6

Structural Information

Molecular Formula
C5H8N4O3
SMILES
C(CC(=O)N)[C@@H](C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C5H8N4O3/c6-4(10)2-1-3(5(11)12)8-9-7/h3H,1-2H2,(H2,6,10)(H,11,12)/t3-/m0/s1
InChIKey
OFIPVYZQSGQXJD-VKHMYHEASA-N
Compound name
(2S)-5-amino-2-azido-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.05965 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.06693 131.9
[M+Na]+ 195.04887 136.8
[M-H]- 171.05237 133.1
[M+NH4]+ 190.09347 150.4
[M+K]+ 211.02281 132.8
[M+H-H2O]+ 155.05691 130.2
[M+HCOO]- 217.05785 159.8
[M+CH3COO]- 231.07350 181.5
[M+Na-2H]- 193.03432 138.1
[M]+ 172.05910 127.7
[M]- 172.06020 127.7
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.