CID 169546223

2920395-78-2

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(COC2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-10(2,3)18-9(16)13-12-4-11(5-12,8(14)15)6-17-7-12/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
ARWVJMVVCLNHHY-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 172.0
[M+Na]+ 280.11552 174.2
[M-H]- 256.11902 169.5
[M+NH4]+ 275.16012 187.5
[M+K]+ 296.08946 178.5
[M+H-H2O]+ 240.12356 164.2
[M+HCOO]- 302.12450 180.2
[M+CH3COO]- 316.14015 199.0
[M+Na-2H]- 278.10097 182.2
[M]+ 257.12575 184.7
[M]- 257.12685 184.7
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.