CID 3664841

96895-04-4

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)N
InChI
InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-4-5(9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
ZSJIIZWMJVWKIR-UHFFFAOYSA-N
Compound name
2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

204.11101 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 146.1
[M+Na]+ 227.100228 150.7
[M-H]- 203.103734 144.5
[M+NH4]+ 222.144833 163.5
[M+K]+ 243.074168 151.4
[M+H-H2O]+ 187.108270 140.9
[M+HCOO]- 249.109211 166.0
[M+CH3COO]- 263.124861 187.2
[M+Na-2H]- 225.085676 148.1
[M]+ 204.11046142 145.2
[M]- 204.11155858 145.2
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