CID 11043405

(s)-(-)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-1-propanol

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

160
Patents

257.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.206376 164.7
[M+Na]+ 280.188318 165.9
[M-H]- 256.191824 165.2
[M+NH4]+ 275.232923 180.4
[M+K]+ 296.162258 165.0
[M+H-H2O]+ 240.196360 158.7
[M+HCOO]- 302.197301 180.1
[M+CH3COO]- 316.212951 195.2
[M+Na-2H]- 278.173766 165.6
[M]+ 257.19855142 161.2
[M]- 257.19964858 161.2
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

patents stripe