CID 141137948

Rac-tert-butyl n-{[(1r,3s)-3-(hydroxymethyl)cyclohexyl]methyl}carbamate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C1)CO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKey
DBWREWKJBLECNR-MNOVXSKESA-N
Compound name
tert-butyl N-[[(1R,3S)-3-(hydroxymethyl)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 159.9
[M+Na]+ 266.17266 162.7
[M-H]- 242.17616 160.9
[M+NH4]+ 261.21726 176.5
[M+K]+ 282.14660 161.5
[M+H-H2O]+ 226.18070 154.1
[M+HCOO]- 288.18164 176.6
[M+CH3COO]- 302.19729 192.5
[M+Na-2H]- 264.15811 161.8
[M]+ 243.18289 157.0
[M]- 243.18399 157.0
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

patents stripe