CID 11043405

103322-56-1

Structural Information

Molecular Formula
C14H27NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)CO
InChI
InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKey
BOJQBBXPSVGTQT-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

257.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.20638 163.6
[M+Na]+ 280.18832 169.6
[M+NH4]+ 275.23292 169.5
[M+K]+ 296.16226 166.0
[M-H]- 256.19182 163.0
[M+Na-2H]- 278.17377 165.1
[M]+ 257.19855 163.8
[M]- 257.19965 163.8
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

patents stripe