CID 125511606

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

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

12
Patents

225.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 148.9
[M+Na]+ 248.08933 154.9
[M-H]- 224.09283 148.5
[M+NH4]+ 243.13393 157.5
[M+K]+ 264.06327 158.0
[M+H-H2O]+ 208.09737 132.8
[M+HCOO]- 270.09831 159.6
[M+CH3COO]- 284.11396 195.4
[M+Na-2H]- 246.07478 149.7
[M]+ 225.09956 151.8
[M]- 225.10066 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