CID 129052206

2095672-78-7

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC(=CO2)C(=O)O
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-4-7(5-14)9-13-8(6-18-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKey
VWTHGWMDNMMGJX-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

268.10593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 157.6
[M+Na]+ 291.09515 162.5
[M-H]- 267.09865 161.0
[M+NH4]+ 286.13975 164.5
[M+K]+ 307.06909 166.2
[M+H-H2O]+ 251.10319 145.6
[M+HCOO]- 313.10413 172.7
[M+CH3COO]- 327.11978 195.6
[M+Na-2H]- 289.08060 158.9
[M]+ 268.10538 168.9
[M]- 268.10648 168.9
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