CID 520789

Tempone

Structural Information

Molecular Formula

C₉H₁₆NO₂

SMILES

CC1(CC(=O)CC(N1[O])(C)C)C

InChI

InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3

InChIKey

WSGDRFHJFJRSFY-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 137
References: 50
Patents: 170.1181 Da
Monoisotopic Mass: 0.5
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]+	171.12538	132.4
[M+Na]+	193.10732	141.7
[M-H]-	169.11082	135.4
[M+NH4]+	188.15192	156.3
[M+K]+	209.08126	141.7
[M+H-H2O]+	153.11536	128.6
[M+HCOO]-	215.11630	152.1
[M+CH3COO]-	229.13195	181.0
[M+Na-2H]-	191.09277	138.6
[M]+	170.11755	132.8
[M]-	170.11865	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe