CID 139022543

2343964-17-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H]2[C@@H]1C2)C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-10-6-9(11(15)17-4)7-5-8(7)10/h7-10H,5-6H2,1-4H3,(H,14,16)/t7-,8+,9-,10+/m1/s1
InChIKey
TXYDJOJXXSJPLC-RGOKHQFPSA-N
Compound name
methyl (1R,2R,4S,5S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.7
[M+Na]+ 278.13628 166.7
[M+NH4]+ 273.18088 165.4
[M+K]+ 294.11022 166.9
[M-H]- 254.13978 164.5
[M+Na-2H]- 276.12173 161.5
[M]+ 255.14651 162.2
[M]- 255.14761 162.2
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.