CID 84668963

Tert-butyl n-(2-methyl-3-oxocyclobutyl)carbamate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC1C(CC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO3/c1-6-7(5-8(6)12)11-9(13)14-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)
InChIKey
SYQFUQUFNMJAJE-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.5
[M+Na]+ 222.11007 150.7
[M-H]- 198.11357 149.2
[M+NH4]+ 217.15467 158.4
[M+K]+ 238.08401 153.7
[M+H-H2O]+ 182.11811 135.2
[M+HCOO]- 244.11905 165.6
[M+CH3COO]- 258.13470 190.9
[M+Na-2H]- 220.09552 148.4
[M]+ 199.12030 155.3
[M]- 199.12140 155.3
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.