CID 11631103

70889-73-5

Structural Information

Molecular Formula
C14H26N2O6
SMILES
CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O6/c1-13(2,3)21-11(19)15-7-8-16(9-10(17)18)12(20)22-14(4,5)6/h7-9H2,1-6H3,(H,15,19)(H,17,18)
InChIKey
DFWRBBNIVJZTJX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

318.17908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18636 173.7
[M+Na]+ 341.16830 176.7
[M-H]- 317.17180 173.5
[M+NH4]+ 336.21290 192.5
[M+K]+ 357.14224 179.0
[M+H-H2O]+ 301.17634 168.1
[M+HCOO]- 363.17728 192.8
[M+CH3COO]- 377.19293 211.0
[M+Na-2H]- 339.15375 175.1
[M]+ 318.17853 178.9
[M]- 318.17963 178.9
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