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

675
Patents

185.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.1
[M+Na]+ 208.094418 145.8
[M-H]- 184.097924 144.6
[M+NH4]+ 203.139023 154.2
[M+K]+ 224.068358 149.0
[M+H-H2O]+ 168.102460 130.6
[M+HCOO]- 230.103401 161.5
[M+CH3COO]- 244.119051 186.8
[M+Na-2H]- 206.079866 145.1
[M]+ 185.10465142 150.1
[M]- 185.10574858 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

literature stripe

Patent stripe

patents stripe