CID 167723394

1-[(tert-butoxy)carbonyl]-3-ethynylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#C)C(=O)O
InChI
InChI=1S/C11H15NO4/c1-5-11(8(13)14)6-12(7-11)9(15)16-10(2,3)4/h1H,6-7H2,2-4H3,(H,13,14)
InChIKey
FOTKVFLUPDINMU-UHFFFAOYSA-N
Compound name
3-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 150.3
[M+Na]+ 248.08933 154.3
[M+NH4]+ 243.13393 149.6
[M+K]+ 264.06327 149.3
[M-H]- 224.09283 137.7
[M+Na-2H]- 246.07478 148.2
[M]+ 225.09956 145.3
[M]- 225.10066 145.3
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.