CID 165661882

2385746-45-0

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)N1CC(OC2C1COC2)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(16)13-4-8(10(14)15)18-9-6-17-5-7(9)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
IUZQDJIWGFRUJE-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 160.0
[M+Na]+ 296.11047 165.0
[M-H]- 272.11397 162.4
[M+NH4]+ 291.15507 174.3
[M+K]+ 312.08441 167.0
[M+H-H2O]+ 256.11851 155.1
[M+HCOO]- 318.11945 171.7
[M+CH3COO]- 332.13510 193.4
[M+Na-2H]- 294.09592 162.6
[M]+ 273.12070 160.9
[M]- 273.12180 160.9
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

No patent data available for this compound.