CID 68209765

2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C1CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKey
XKKBEUZFWAVZFQ-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 157.4
[M+Na]+ 252.12063 160.0
[M+NH4]+ 247.16523 157.9
[M+K]+ 268.09457 160.3
[M-H]- 228.12413 151.5
[M+Na-2H]- 250.10608 155.1
[M]+ 229.13086 154.4
[M]- 229.13196 154.4
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

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