CID 135908260

4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CC(C)(C)CC(=O)O/N=C/C1=CC=C(C=C1)O

InChI

InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+

InChIKey

IRHAIEVALGHVLW-NTEUORMPSA-N

Compound name

[(E)-(4-hydroxyphenyl)methylideneamino] 3,3-dimethylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.12085 Da
Monoisotopic Mass: 3.1
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]+	236.128126	153.6
[M+Na]+	258.110068	160.3
[M-H]-	234.113574	157.3
[M+NH4]+	253.154673	171.5
[M+K]+	274.084008	158.7
[M+H-H2O]+	218.118110	147.5
[M+HCOO]-	280.119051	176.5
[M+CH3COO]-	294.134701	192.9
[M+Na-2H]-	256.095516	158.9
[M]+	235.12030142	156.2
[M]-	235.12139858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.