CID 3664841

Boc-2,3-diaminopropionic acid

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

154
Patents

204.11101 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 145.9
[M+Na]+ 227.10023 150.5
[M+NH4]+ 222.14483 149.9
[M+K]+ 243.07417 150.2
[M-H]- 203.10373 142.2
[M+Na-2H]- 225.08568 145.5
[M]+ 204.11046 144.8
[M]- 204.11156 144.8
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