CID 133251

79660-76-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

COC1=C(C=C2CC(CC2=C1)C(=NO)N)OC

InChI

InChI=1S/C12H16N2O3/c1-16-10-5-7-3-9(12(13)14-15)4-8(7)6-11(10)17-2/h5-6,9,15H,3-4H2,1-2H3,(H2,13,14)

InChIKey

SLGWCFWQWDZEBX-UHFFFAOYSA-N

Compound name

N'-hydroxy-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 236.11609 Da
Monoisotopic Mass: 1.3
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]+	237.123366	150.9
[M+Na]+	259.105308	158.1
[M-H]-	235.108814	155.2
[M+NH4]+	254.149913	171.0
[M+K]+	275.079248	156.2
[M+H-H2O]+	219.113350	144.8
[M+HCOO]-	281.114291	174.8
[M+CH3COO]-	295.129941	196.5
[M+Na-2H]-	257.090756	154.0
[M]+	236.11554142	151.5
[M]-	236.11663858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe