CID 165639288

2742660-65-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC12CC(C1)(C(O2)C(=O)O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-13-5-12(4,6-13)18-8(13)9(15)16/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
YALLRNPUKIVCCN-UHFFFAOYSA-N
Compound name
1-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 174.4
[M+Na]+ 294.131188 177.9
[M-H]- 270.134694 174.3
[M+NH4]+ 289.175793 192.6
[M+K]+ 310.105128 181.0
[M+H-H2O]+ 254.139230 169.5
[M+HCOO]- 316.140171 186.8
[M+CH3COO]- 330.155821 200.9
[M+Na-2H]- 292.116636 180.8
[M]+ 271.14142142 190.0
[M]- 271.14251858 190.0
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.