CID 54398084

87244-02-8

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(C)(C)OC(=O)[C@@H](CC(=O)N)N
InChI
InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m1/s1
InChIKey
VLLGKVRQXXHELH-RXMQYKEDSA-N
Compound name
tert-butyl (2R)-2,4-diamino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.11609 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 143.3
[M+Na]+ 211.105308 148.4
[M-H]- 187.108814 142.6
[M+NH4]+ 206.149913 161.8
[M+K]+ 227.079248 149.0
[M+H-H2O]+ 171.113350 138.2
[M+HCOO]- 233.114291 163.8
[M+CH3COO]- 247.129941 187.6
[M+Na-2H]- 209.090756 144.6
[M]+ 188.11554142 141.9
[M]- 188.11663858 141.9
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

patents stripe