CID 84725946

Tert-butyl n-(1-cyclopentyl-2-oxoethyl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC(C=O)C1CCCC1
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKey
XXTGXCWJVRFVKS-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 155.5
[M+Na]+ 250.141368 159.1
[M-H]- 226.144874 158.2
[M+NH4]+ 245.185973 174.9
[M+K]+ 266.115308 158.8
[M+H-H2O]+ 210.149410 150.0
[M+HCOO]- 272.150351 175.4
[M+CH3COO]- 286.166001 190.3
[M+Na-2H]- 248.126816 156.7
[M]+ 227.15160142 154.5
[M]- 227.15269858 154.5
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.