CID 23374584

Tert-butyl 3-oxocyclobutylcarbamate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)NC1CC(=O)C1
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKey
FNHPTFKSPUTESA-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

185.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.1
[M+Na]+ 208.09442 145.8
[M-H]- 184.09792 144.6
[M+NH4]+ 203.13902 154.2
[M+K]+ 224.06836 149.0
[M+H-H2O]+ 168.10246 130.6
[M+HCOO]- 230.10340 161.5
[M+CH3COO]- 244.11905 186.8
[M+Na-2H]- 206.07987 145.1
[M]+ 185.10465 150.1
[M]- 185.10575 150.1
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.