CID 14009986

174195-95-0

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC(C)(C)OC(=O)C1CCC(=O)C1

InChI

InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7H,4-6H2,1-3H3

InChIKey

VWGRUBYATPOSGE-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 184.10994 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.11722	141.0
[M+Na]+	207.09916	147.6
[M-H]-	183.10266	144.4
[M+NH4]+	202.14376	162.8
[M+K]+	223.07310	147.3
[M+H-H2O]+	167.10720	136.7
[M+HCOO]-	229.10814	161.6
[M+CH3COO]-	243.12379	180.4
[M+Na-2H]-	205.08461	143.6
[M]+	184.10939	141.2
[M]-	184.11049	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe