CID 162345480

Ns00132841

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC(C)(C)C(=O)C(N1C=CN=C1)O

InChI

InChI=1S/C9H14N2O2/c1-9(2,3)7(12)8(13)11-5-4-10-6-11/h4-6,8,13H,1-3H3

InChIKey

RZQRXQJZZLWZQD-UHFFFAOYSA-N

Compound name

1-hydroxy-1-imidazol-1-yl-3,3-dimethylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.10553 Da
Monoisotopic Mass: 0.7
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]+	183.112806	141.2
[M+Na]+	205.094748	148.3
[M-H]-	181.098254	141.0
[M+NH4]+	200.139353	159.6
[M+K]+	221.068688	147.5
[M+H-H2O]+	165.102790	134.9
[M+HCOO]-	227.103731	159.5
[M+CH3COO]-	241.119381	178.6
[M+Na-2H]-	203.080196	144.9
[M]+	182.10498142	141.3
[M]-	182.10607858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.