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

2
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

literature stripe

Patent stripe

patents stripe