CID 138040761

2490401-33-5

Structural Information

Molecular Formula
C14H21NO6
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C3(O2)COC3)C(=O)O
InChI
InChI=1S/C14H21NO6/c1-11(2,3)20-10(18)15-6-12-4-13(5-12,9(16)17)14(21-12)7-19-8-14/h4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
VHNKTQQIUYCSDA-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1369 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14418 178.0
[M+Na]+ 322.12612 178.4
[M-H]- 298.12962 181.2
[M+NH4]+ 317.17072 187.8
[M+K]+ 338.10006 184.9
[M+H-H2O]+ 282.13416 170.0
[M+HCOO]- 344.13510 186.9
[M+CH3COO]- 358.15075 210.9
[M+Na-2H]- 320.11157 184.5
[M]+ 299.13635 200.2
[M]- 299.13745 200.2
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.