CID 325304

Mls002608349

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CC1C2CCC3(C=CC(=NO)C(=C3C2OC1=O)C)C

InChI

InChI=1S/C15H19NO3/c1-8-10-4-6-15(3)7-5-11(16-18)9(2)12(15)13(10)19-14(8)17/h5,7-8,10,13,18H,4,6H2,1-3H3

InChIKey

DZFUMKYXWIWTMJ-UHFFFAOYSA-N

Compound name

8-hydroxyimino-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 261.1365 Da
Monoisotopic Mass: 2.6
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]+	262.143776	157.2
[M+Na]+	284.125718	166.0
[M-H]-	260.129224	163.3
[M+NH4]+	279.170323	179.0
[M+K]+	300.099658	163.3
[M+H-H2O]+	244.133760	152.3
[M+HCOO]-	306.134701	175.3
[M+CH3COO]-	320.150351	200.3
[M+Na-2H]-	282.111166	161.2
[M]+	261.13595142	156.8
[M]-	261.13704858	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.