CID 136257782

Dtxsid40960538

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

CC1CC(C2=CC(=C(C=C12)O)N=NC(=N)N)O

InChI

InChI=1S/C11H14N4O2/c1-5-2-9(16)7-3-8(14-15-11(12)13)10(17)4-6(5)7/h3-5,9,16-17H,2H2,1H3,(H3,12,13)

InChIKey

PEMVRVOEBDXFDB-UHFFFAOYSA-N

Compound name

1-[(3,6-dihydroxy-1-methyl-2,3-dihydro-1H-inden-5-yl)imino]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.11168 Da
Monoisotopic Mass: 1.0
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]+	235.118956	148.7
[M+Na]+	257.100898	155.9
[M-H]-	233.104404	153.6
[M+NH4]+	252.145503	168.4
[M+K]+	273.074838	153.4
[M+H-H2O]+	217.108940	142.4
[M+HCOO]-	279.109881	174.9
[M+CH3COO]-	293.125531	201.9
[M+Na-2H]-	255.086346	152.5
[M]+	234.11113142	145.8
[M]-	234.11222858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.