CID 4393691

Di-t-butyl iminodiacetate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
InChIKey
SMXMBXPLRFTROI-UHFFFAOYSA-N
Compound name
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

245.1627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.3
[M+Na]+ 268.15192 163.4
[M-H]- 244.15542 158.4
[M+NH4]+ 263.19652 175.9
[M+K]+ 284.12586 164.3
[M+H-H2O]+ 228.15996 153.6
[M+HCOO]- 290.16090 177.6
[M+CH3COO]- 304.17655 196.0
[M+Na-2H]- 266.13737 162.1
[M]+ 245.16215 162.9
[M]- 245.16325 162.9
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