CID 22251382

496974-25-5

Structural Information

Molecular Formula
C14H26N2O6
SMILES
CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H26N2O6/c1-13(2,3)21-11(19)15-7-9(10(17)18)8-16-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)
InChIKey
PEFPWDFBUBZOCE-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

318.17908 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18636 174.2
[M+Na]+ 341.16830 176.7
[M-H]- 317.17180 172.5
[M+NH4]+ 336.21290 188.7
[M+K]+ 357.14224 178.3
[M+H-H2O]+ 301.17634 168.8
[M+HCOO]- 363.17728 189.6
[M+CH3COO]- 377.19293 208.6
[M+Na-2H]- 339.15375 175.0
[M]+ 318.17853 177.4
[M]- 318.17963 177.4
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