CID 45091924

Tert-butyl n-[(1s)-3-oxocyclopentyl]carbamate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CCC(=O)C1
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKey
CLOXAWYNXXEWBT-ZETCQYMHSA-N
Compound name
tert-butyl N-[(1S)-3-oxocyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

595
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.4
[M+Na]+ 222.11007 151.0
[M-H]- 198.11357 148.7
[M+NH4]+ 217.15467 166.2
[M+K]+ 238.08401 150.7
[M+H-H2O]+ 182.11811 140.4
[M+HCOO]- 244.11905 166.9
[M+CH3COO]- 258.13470 184.6
[M+Na-2H]- 220.09552 148.3
[M]+ 199.12030 144.6
[M]- 199.12140 144.6
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