CID 19794273

Tert-butyl n-[(3-oxocyclobutyl)methyl]carbamate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)NCC1CC(=O)C1
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-7-4-8(12)5-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKey
GEPHRYHDJCQNAB-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-oxocyclobutyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

199.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.8
[M+Na]+ 222.110068 150.1
[M-H]- 198.113574 149.1
[M+NH4]+ 217.154673 158.4
[M+K]+ 238.084008 153.1
[M+H-H2O]+ 182.118110 135.2
[M+HCOO]- 244.119051 165.9
[M+CH3COO]- 258.134701 189.7
[M+Na-2H]- 220.095516 149.3
[M]+ 199.12030142 155.2
[M]- 199.12139858 155.2
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

patents stripe