CID 137942590

2649023-48-1

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NOC(C2)C(=O)O
InChI
InChI=1S/C12H18N2O5/c1-12(2,3)18-11(17)14-5-7(6-14)8-4-9(10(15)16)19-13-8/h7,9H,4-6H2,1-3H3,(H,15,16)
InChIKey
FHZKKLAXJJNAET-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12158 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 158.6
[M+Na]+ 293.11080 162.6
[M-H]- 269.11430 161.7
[M+NH4]+ 288.15540 165.5
[M+K]+ 309.08474 166.5
[M+H-H2O]+ 253.11884 146.8
[M+HCOO]- 315.11978 172.4
[M+CH3COO]- 329.13543 196.0
[M+Na-2H]- 291.09625 159.1
[M]+ 270.12103 168.6
[M]- 270.12213 168.6
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.