CID 178200082

Tert-butyl n-[(2r)-4-cyclohexyl-1-oxobutan-2-yl]carbamate

Structural Information

Molecular Formula
C15H27NO3
SMILES
CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C=O
InChI
InChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16-13(11-17)10-9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKey
NGZWUIBSGQHSBF-CYBMUJFWSA-N
Compound name
tert-butyl N-[(2R)-4-cyclohexyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 167.4
[M+Na]+ 292.188318 168.9
[M-H]- 268.191824 169.2
[M+NH4]+ 287.232923 183.2
[M+K]+ 308.162258 168.0
[M+H-H2O]+ 252.196360 161.0
[M+HCOO]- 314.197301 184.2
[M+CH3COO]- 328.212951 199.8
[M+Na-2H]- 290.173766 168.3
[M]+ 269.19855142 165.5
[M]- 269.19964858 165.5
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.