CID 137949914

2172037-86-2

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(C)(C)C(=O)O)O
InChI
InChI=1S/C12H21NO5/c1-10(2,3)18-9(16)13-6-12(17,7-13)11(4,5)8(14)15/h17H,6-7H2,1-5H3,(H,14,15)
InChIKey
ROJODKASJBBJRA-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 163.2
[M+Na]+ 282.13119 167.2
[M-H]- 258.13469 162.6
[M+NH4]+ 277.17579 172.9
[M+K]+ 298.10513 170.4
[M+H-H2O]+ 242.13923 154.4
[M+HCOO]- 304.14017 175.3
[M+CH3COO]- 318.15582 193.5
[M+Na-2H]- 280.11664 165.8
[M]+ 259.14142 173.0
[M]- 259.14252 173.0
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

No patent data available for this compound.