CID 97667

Hydroxybenzindazole

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1CC2=C(C3=C1C=C(C=C3)O)NN=C2

InChI

InChI=1S/C11H10N2O/c14-9-3-4-10-7(5-9)1-2-8-6-12-13-11(8)10/h3-6,14H,1-2H2,(H,12,13)

InChIKey

LOTQTXAXHJARHM-UHFFFAOYSA-N

Compound name

4,5-dihydro-1H-benzo[g]indazol-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 186.07932 Da
Monoisotopic Mass: 1.8
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]+	187.086596	138.1
[M+Na]+	209.068538	147.5
[M-H]-	185.072044	138.5
[M+NH4]+	204.113143	157.9
[M+K]+	225.042478	142.3
[M+H-H2O]+	169.076580	131.5
[M+HCOO]-	231.077521	155.7
[M+CH3COO]-	245.093171	150.4
[M+Na-2H]-	207.053986	145.4
[M]+	186.07877142	135.2
[M]-	186.07986858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe