CID 130133564

1823859-54-6

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)NCC(CN)C(=O)O
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-6(4-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
GHWNEGODOSNRLM-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 150.7
[M+Na]+ 241.115878 154.9
[M-H]- 217.119384 148.9
[M+NH4]+ 236.160483 167.5
[M+K]+ 257.089818 155.3
[M+H-H2O]+ 201.123920 145.3
[M+HCOO]- 263.124861 170.3
[M+CH3COO]- 277.140511 190.3
[M+Na-2H]- 239.101326 152.2
[M]+ 218.12611142 150.1
[M]- 218.12720858 150.1
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

No patent data available for this compound.