CID 512954

(1z)-2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthoquinone 1-oxime

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

CC(=CCC1=C(C2=CC=CC=C2C(=C1O)N=O)O)C

InChI

InChI=1S/C15H15NO3/c1-9(2)7-8-12-14(17)11-6-4-3-5-10(11)13(16-19)15(12)18/h3-7,17-18H,8H2,1-2H3

InChIKey

TWUIZOCTUIRHBX-UHFFFAOYSA-N

Compound name

2-(3-methylbut-2-enyl)-4-nitrosonaphthalene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.1052 Da
Monoisotopic Mass: 4.3
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]+	258.112476	156.6
[M+Na]+	280.094418	165.4
[M-H]-	256.097924	160.4
[M+NH4]+	275.139023	174.2
[M+K]+	296.068358	161.5
[M+H-H2O]+	240.102460	150.3
[M+HCOO]-	302.103401	178.5
[M+CH3COO]-	316.119051	198.8
[M+Na-2H]-	278.079866	160.8
[M]+	257.10465142	158.6
[M]-	257.10574858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.