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

24
Patents

268.10593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 157.6
[M+Na]+ 291.095148 162.5
[M-H]- 267.098654 161.0
[M+NH4]+ 286.139753 164.5
[M+K]+ 307.069088 166.2
[M+H-H2O]+ 251.103190 145.6
[M+HCOO]- 313.104131 172.7
[M+CH3COO]- 327.119781 195.6
[M+Na-2H]- 289.080596 158.9
[M]+ 268.10538142 168.9
[M]- 268.10647858 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