CID 53419904

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

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NCC1CCC(=O)C1
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-8-4-5-9(13)6-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
OAOABSXMRINSEL-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-oxocyclopentyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.0
[M+Na]+ 236.12571 155.3
[M-H]- 212.12921 153.2
[M+NH4]+ 231.17031 170.3
[M+K]+ 252.09965 154.7
[M+H-H2O]+ 196.13375 144.9
[M+HCOO]- 258.13469 171.2
[M+CH3COO]- 272.15034 187.6
[M+Na-2H]- 234.11116 152.4
[M]+ 213.13594 149.6
[M]- 213.13704 149.6
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