CID 137701265

3-[(tert-butoxy)carbonyl]oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C9H14O5
SMILES
CC(C)(C)OC(=O)C1(COC1)C(=O)O
InChI
InChI=1S/C9H14O5/c1-8(2,3)14-7(12)9(6(10)11)4-13-5-9/h4-5H2,1-3H3,(H,10,11)
InChIKey
HIPBKLCHMMZGOK-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 146.2
[M+Na]+ 225.07334 149.5
[M+NH4]+ 220.11794 148.8
[M+K]+ 241.04728 148.3
[M-H]- 201.07684 142.2
[M+Na-2H]- 223.05879 146.4
[M]+ 202.08357 144.1
[M]- 202.08467 144.1
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.