CID 165771698

Rac-(1r,2s,4s)-2-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H]1C(=O)O)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(17)13-9-6-7(14)4-5-8(9)10(15)16/h7-9,14H,4-6H2,1-3H3,(H,13,17)(H,15,16)/t7-,8+,9-/m1/s1
InChIKey
CSRFYUPMFPWZMB-HRDYMLBCSA-N
Compound name
(1S,2R,4R)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.5
[M+Na]+ 282.13119 164.1
[M+NH4]+ 277.17579 162.9
[M+K]+ 298.10513 162.9
[M-H]- 258.13469 156.3
[M+Na-2H]- 280.11664 158.6
[M]+ 259.14142 158.0
[M]- 259.14252 158.0
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.