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

171
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 164.7
[M+Na]+ 280.18832 165.9
[M-H]- 256.19182 165.2
[M+NH4]+ 275.23292 180.4
[M+K]+ 296.16226 165.0
[M+H-H2O]+ 240.19636 158.7
[M+HCOO]- 302.19730 180.1
[M+CH3COO]- 316.21295 195.2
[M+Na-2H]- 278.17377 165.6
[M]+ 257.19855 161.2
[M]- 257.19965 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