CID 448022

Tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKey
BDSGOSWEKUGHOV-LLVKDONJSA-N
Compound name
tert-butyl N-[(1S)-1-cyclohexyl-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

32
Patents

241.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 158.3
[M+Na]+ 264.15702 160.7
[M-H]- 240.16052 160.5
[M+NH4]+ 259.20162 175.2
[M+K]+ 280.13096 160.2
[M+H-H2O]+ 224.16506 152.3
[M+HCOO]- 286.16600 175.8
[M+CH3COO]- 300.18165 193.8
[M+Na-2H]- 262.14247 160.2
[M]+ 241.16725 155.6
[M]- 241.16835 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe