CID 23591749

3-[2-(2-([(tert-butoxy)carbonyl]amino)ethoxy)ethoxy]propanoic acid

Structural Information

Molecular Formula
C12H23NO6
SMILES
CC(C)(C)OC(=O)NCCOCCOCCC(=O)O
InChI
InChI=1S/C12H23NO6/c1-12(2,3)19-11(16)13-5-7-18-9-8-17-6-4-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
OZMXZVCAXAQCHJ-UHFFFAOYSA-N
Compound name
3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

277.15253 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15981 164.8
[M+Na]+ 300.14175 168.5
[M-H]- 276.14525 162.8
[M+NH4]+ 295.18635 179.8
[M+K]+ 316.11569 169.1
[M+H-H2O]+ 260.14979 158.8
[M+HCOO]- 322.15073 184.4
[M+CH3COO]- 336.16638 198.0
[M+Na-2H]- 298.12720 167.2
[M]+ 277.15198 170.8
[M]- 277.15308 170.8
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