CID 177798571

Tert-butyl n-[3-oxo-2-(prop-2-en-1-yl)cyclobutyl]carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)NC1CC(=O)C1CC=C
InChI
InChI=1S/C12H19NO3/c1-5-6-8-9(7-10(8)14)13-11(15)16-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)
InChIKey
MPKSUHNUFHWHCY-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxo-2-prop-2-enylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 153.7
[M+Na]+ 248.125708 158.2
[M-H]- 224.129214 157.0
[M+NH4]+ 243.170313 165.4
[M+K]+ 264.099648 160.2
[M+H-H2O]+ 208.133750 143.0
[M+HCOO]- 270.134691 173.2
[M+CH3COO]- 284.150341 195.9
[M+Na-2H]- 246.111156 155.4
[M]+ 225.13594142 163.4
[M]- 225.13703858 163.4
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.