CID 21327693

2803861-42-7

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)N(CCN)CC(=O)O
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11(5-4-10)6-7(12)13/h4-6,10H2,1-3H3,(H,12,13)
InChIKey
XDGIJUUNOMQHSJ-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.12666 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 150.2
[M+Na]+ 241.115878 154.8
[M-H]- 217.119384 149.8
[M+NH4]+ 236.160483 167.8
[M+K]+ 257.089818 156.1
[M+H-H2O]+ 201.123920 144.6
[M+HCOO]- 263.124861 171.3
[M+CH3COO]- 277.140511 192.7
[M+Na-2H]- 239.101326 152.2
[M]+ 218.12611142 151.6
[M]- 218.12720858 151.6
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