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

9
Patents

213.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 150.0
[M+Na]+ 236.125708 155.3
[M-H]- 212.129214 153.2
[M+NH4]+ 231.170313 170.3
[M+K]+ 252.099648 154.7
[M+H-H2O]+ 196.133750 144.9
[M+HCOO]- 258.134691 171.2
[M+CH3COO]- 272.150341 187.6
[M+Na-2H]- 234.111156 152.4
[M]+ 213.13594142 149.6
[M]- 213.13703858 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