CID 333466

2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetic acid

Structural Information

Molecular Formula
C9H16N2O5
SMILES
CC(C)(C)OC(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-4-6(12)10-5-7(13)14/h4-5H2,1-3H3,(H,10,12)(H,11,15)(H,13,14)
InChIKey
HWBAHOVOSOAFLE-UHFFFAOYSA-N
Compound name
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

672
Patents

232.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 151.3
[M+Na]+ 255.09515 155.6
[M-H]- 231.09865 150.0
[M+NH4]+ 250.13975 167.7
[M+K]+ 271.06909 156.4
[M+H-H2O]+ 215.10319 145.8
[M+HCOO]- 277.10413 171.9
[M+CH3COO]- 291.11978 191.4
[M+Na-2H]- 253.08060 154.1
[M]+ 232.10538 152.4
[M]- 232.10648 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe