CID 154850454

2751692-40-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NC[C@@]12C[C@H](CO1)[C@H](C2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13-4-8(6-18-13)9(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t8-,9+,13+/m1/s1
InChIKey
DFNMHQDSJRRRHA-ZDMBXUJBSA-N
Compound name
(1S,4S,5S)-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 163.1
[M+Na]+ 294.131188 167.9
[M-H]- 270.134694 164.8
[M+NH4]+ 289.175793 184.1
[M+K]+ 310.105128 168.2
[M+H-H2O]+ 254.139230 160.5
[M+HCOO]- 316.140171 179.3
[M+CH3COO]- 330.155821 195.4
[M+Na-2H]- 292.116636 166.8
[M]+ 271.14142142 164.9
[M]- 271.14251858 164.9
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.