CID 125511606

2059954-20-8

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C#CC(=O)O
InChI
InChI=1S/C11H15NO4/c1-11(2,3)16-10(15)12-6-8(7-12)4-5-9(13)14/h8H,6-7H2,1-3H3,(H,13,14)
InChIKey
YTPVBUWQMPFOFN-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.9
[M+Na]+ 248.089328 154.9
[M-H]- 224.092834 148.5
[M+NH4]+ 243.133933 157.5
[M+K]+ 264.063268 158.0
[M+H-H2O]+ 208.097370 132.8
[M+HCOO]- 270.098311 159.6
[M+CH3COO]- 284.113961 195.4
[M+Na-2H]- 246.074776 149.7
[M]+ 225.09956142 151.8
[M]- 225.10065858 151.8
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