CID 154814498

2550997-72-1

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)(C)OC(=O)NO[C@@H]1CCC[C@H]([C@H]1O)O
InChI
InChI=1S/C11H21NO5/c1-11(2,3)16-10(15)12-17-8-6-4-5-7(13)9(8)14/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)/t7-,8-,9-/m1/s1
InChIKey
KCIZWGJNTARUJA-IWSPIJDZSA-N
Compound name
tert-butyl N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]oxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 155.3
[M+Na]+ 270.13119 161.5
[M+NH4]+ 265.17579 160.3
[M+K]+ 286.10513 159.7
[M-H]- 246.13469 153.6
[M+Na-2H]- 268.11664 156.1
[M]+ 247.14142 155.1
[M]- 247.14252 155.1
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.