CID 10261520

Tert-butyl 3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(C)(C)OC(=O)C1CC(=O)C1
InChI
InChI=1S/C9H14O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6H,4-5H2,1-3H3
InChIKey
JINYZTGTQXDUQR-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

170.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 134.5
[M+Na]+ 193.08352 140.4
[M-H]- 169.08702 138.3
[M+NH4]+ 188.12812 148.8
[M+K]+ 209.05746 143.5
[M+H-H2O]+ 153.09156 125.2
[M+HCOO]- 215.09250 154.2
[M+CH3COO]- 229.10815 182.7
[M+Na-2H]- 191.06897 138.7
[M]+ 170.09375 144.6
[M]- 170.09485 144.6
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