CID 21327693

Sodium2-[(2-aminoethyl)[(tert-butoxy)carbonyl]amino]acetate

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

3
Patents

218.12666 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.2
[M+Na]+ 241.11588 154.8
[M-H]- 217.11938 149.8
[M+NH4]+ 236.16048 167.8
[M+K]+ 257.08982 156.1
[M+H-H2O]+ 201.12392 144.6
[M+HCOO]- 263.12486 171.3
[M+CH3COO]- 277.14051 192.7
[M+Na-2H]- 239.10133 152.2
[M]+ 218.12611 151.6
[M]- 218.12721 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