CID 9583905

Mls000858770

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

C/C(=N\O)/C(C)(C)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H15ClN2O/c1-8(14-15)11(2,3)13-10-6-4-9(12)5-7-10/h4-7,13,15H,1-3H3/b14-8+

InChIKey

HRHBPYOJWFERLH-RIYZIHGNSA-N

Compound name

(NE)-N-[3-(4-chloroanilino)-3-methylbutan-2-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 226.0873 Da
Monoisotopic Mass: 3.7
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]+	227.094576	150.7
[M+Na]+	249.076518	157.7
[M-H]-	225.080024	154.4
[M+NH4]+	244.121123	169.4
[M+K]+	265.050458	154.0
[M+H-H2O]+	209.084560	145.6
[M+HCOO]-	271.085501	169.9
[M+CH3COO]-	285.101151	193.7
[M+Na-2H]-	247.061966	156.5
[M]+	226.08675142	151.8
[M]-	226.08784858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.