CID 96358

4-(1-methylethyl)benzaldehyde oxime

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(C)C1=CC=C(C=C1)C=NO

InChI

InChI=1S/C10H13NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3-8,12H,1-2H3

InChIKey

NVKXBDITZDURNJ-UHFFFAOYSA-N

Compound name

N-[(4-propan-2-ylphenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 40
Patents: 163.09972 Da
Monoisotopic Mass: 3.2
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]+	164.10700	134.8
[M+Na]+	186.08894	141.9
[M-H]-	162.09244	138.6
[M+NH4]+	181.13354	155.4
[M+K]+	202.06288	140.2
[M+H-H2O]+	146.09698	129.0
[M+HCOO]-	208.09792	159.5
[M+CH3COO]-	222.11357	181.6
[M+Na-2H]-	184.07439	140.8
[M]+	163.09917	134.7
[M]-	163.10027	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe