CID 66787499

Tert-butyl n-(3-cyclobutyl-3-oxopropyl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NCCC(=O)C1CCC1
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-7-10(14)9-5-4-6-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKey
CUQXDVAKSCRELW-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 156.9
[M+Na]+ 250.141368 159.1
[M-H]- 226.144874 159.5
[M+NH4]+ 245.185973 167.9
[M+K]+ 266.115308 162.1
[M+H-H2O]+ 210.149410 145.5
[M+HCOO]- 272.150351 175.3
[M+CH3COO]- 286.166001 195.3
[M+Na-2H]- 248.126816 158.6
[M]+ 227.15160142 165.9
[M]- 227.15269858 165.9
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