CID 10443829

122225-54-1

Structural Information

Molecular Formula
C8H14N4O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C8H14N4O4/c1-8(2,3)16-7(15)11-5(6(13)14)4-10-12-9/h5H,4H2,1-3H3,(H,11,15)(H,13,14)/t5-/m0/s1
InChIKey
KIFVOLVBGXELHT-YFKPBYRVSA-N
Compound name
(2S)-3-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.1015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10878 147.5
[M+Na]+ 253.09072 151.7
[M-H]- 229.09422 149.2
[M+NH4]+ 248.13532 164.4
[M+K]+ 269.06466 148.4
[M+H-H2O]+ 213.09876 146.0
[M+HCOO]- 275.09970 173.9
[M+CH3COO]- 289.11535 191.5
[M+Na-2H]- 251.07617 154.8
[M]+ 230.10095 146.1
[M]- 230.10205 146.1
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