CID 137964602

2228327-70-4

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC1(C2(CC(C2)(O1)CNC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C14H23NO5/c1-11(2,3)19-10(18)15-8-13-6-14(7-13,9(16)17)12(4,5)20-13/h6-8H2,1-5H3,(H,15,18)(H,16,17)
InChIKey
NRDYQRGOXBYDEP-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 179.5
[M+Na]+ 308.14684 183.7
[M-H]- 284.15034 179.6
[M+NH4]+ 303.19144 199.1
[M+K]+ 324.12078 186.2
[M+H-H2O]+ 268.15488 175.6
[M+HCOO]- 330.15582 191.4
[M+CH3COO]- 344.17147 203.6
[M+Na-2H]- 306.13229 186.7
[M]+ 285.15707 195.9
[M]- 285.15817 195.9
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.